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Glycyl-beta-alanine

HCID 97048
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Basic information

CAS
7536-21-2
Standard SMILES
NCC(=O)NCCC(=O)O
InChIKey
YOKCETMQAPIAGM-UHFFFAOYSA-N
Molecular formula
C5H10N2O3
Average molar mass
146.14 g/mol
Monoisotopic mass
146.06914218

Names & identifiers

Preferred name
Glycyl-beta-alanine
IUPAC
3-[(2-aminoacetyl)amino]propanoic acid
English name
H-Gly-beta-Ala-OH
Molecular formula
C5H10N2O3
Molecular weight
146.14

Names & synonyms

Glycyl-beta-alanine7536-21-2IJ7P2T61VUbeta-Alanine, N-glycyl-NSC-97924DTXSID90226333RefChem:143964DTXCID90148824H-Gly-beta-Ala-OH3-(2-aminoacetamido)propanoic acid3-[(2-aminoacetyl)amino]propanoic acidGly-beta-ala
Show more names
GLY-B-ALAH-Gly-β-Ala-OHH-Gly-b-Ala-OHGLYCYL-B-ALANINEH2N-Gly-βAla-COOHβ-Alanine, glycyl-
NSC97924NSC 97924H-Gly--Ala-OHUNII-IJ7P2T61VUGLYCYL-.BETA.-ALANINESCHEMBL385127GLYCINE-.BETA.-ALANINESCHEMBL5840295

Database identifiers

CAS
7536-21-2
PubChem CID
97048
DTXSID
DTXSID90226333
ChEMBL
CHEMBL1221616
UNII
IJ7P2T61VU
Nikkaji
J441.081E

Properties

Computed structural properties

XLogP
-4.2
Topological polar surface area
92.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
10
Formal charge
0
Complexity
135

Physicochemical properties

Melting point
230 °C · 230 °C
Boiling point
439.3 · 439.3±30.0 °C(Predicted)
Density
1.267 · 1.267±0.06 g/cm3(Predicted)
storage temp.
-15 °C · -15°C
pka
4.2 · 4.20±0.10(Predicted)
FDA UNII
7 P2T61VU · IJ7P2T61VU

Chemistry & industry

Suppliers6 total

凯试(上海)科技有限公司021-50135380 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

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Compound notes

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