Basic information
- CAS
4033-39-0- Standard SMILES
NCC(N)C(=O)O- InChIKey
PECYZEOJVXMISF-UHFFFAOYSA-N- Molecular formula
- C3H8N2O2
- Average molar mass
- 104.11 g/mol
- Monoisotopic mass
- 104.0585775
Overview
3-aminoalanine is a diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. It has a role as an Escherichia coli metabolite. It is an alanine derivative, a beta-amino acid, a diamino acid and a non-proteinogenic alpha-amino acid. It is functionally related to a propionic acid. It is a conjugate acid of a 3-aminoalaninate. It is a tautomer of a 3-aminoalanine zwitterion.
Names & identifiers
- Preferred name
- 2,3-Diaminopropionic acid
- IUPAC
- 2,3-diaminopropanoic acid
- English name
- L-2,3-Diaminopropionic acid
- Molecular formula
- C3H8N2O2
- Molecular weight
- 104.11
Names & synonyms
2,3-diaminopropanoic acid2,3-diaminopropionic acid515-94-63-AminoalanineDL-2,3-diaminopropionic acidDL-3-Aminoalanine2-Amino-beta-alaninebeta-Aminoalaninealpha,beta-Diaminopropionic acidCHEBI:183838908T5BN6RDTXSID90863308
Show more names
H-Dap-OHL-Dap3-amino-L-alanineL-Alanine, 3-amino-L-2,3-DiaminopropionL-2,3-Diaminopropionic acid(S)-2,3-Diaminopropionic acid(2S)-2,3-Diaminopropionic acid(2S)-2,3-diaminopropanoic acid[S,(+)]-2,3-Diaminopropionic acid
RefChem:441958DTXCID002200492,3-diaminopropionateMFCD000445312,3-DIAMINOPROPIONOIC ACIDAlanine, 3-amino-Diaminopropionic acid2,3-diaminopropanoate
Database identifiers
- CAS
4033-39-0、515-94-6- PubChem CID
- 364
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 73.3
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
Physical DescriptionDL form: Hygroscopic solid that also absorbs carbon dioxide from air; [Merck Index]
Collision Cross Section
138.1 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
118.5 Ų [M-H]-
Physicochemical properties
- Boiling point
- 325.6 · 325.6±32.0 °C(Predicted)
- Density
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- solubility
- Soluble in DMSO
- pka
- 1.76 · 1.76±0.10(Predicted)
- FDA UNII
- 1 TUV83JA · JE1TUV83JA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummarySee 3-(Methylamino)-(DL)-alanine.
Chemistry & industry
Uses & manufacturing
UsesIts salts are used to inhibit growth of microorganisms; [Merck Index]
Applications
Uses2, 3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a, b-diaminopropionic acid a neurotoxic amino acid (ODAP).
Suppliers36 total
北京华美互利生物化工010-56205725 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
南京德尔诺医药科技有限公司02585057128;025-86957866 13952093866 · [email protected]
上海丽康新材料有限公司+86-16631818819 +86-17736933208 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
Related reactions
5 records
Compound notes
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