Ethyl 2-acetamido-4-methylpentanoate
Basic information
- CAS
1114-55-2- Standard SMILES
CCOC(=O)C(CC(C)C)NC(C)=O- InChIKey
CVLYKMBNKKBAHO-UHFFFAOYSA-N- Molecular formula
- C10H19NO3
- Average molar mass
- 201.26 g/mol
- Monoisotopic mass
- 201.13649347
Names & identifiers
- Preferred name
- Ethyl 2-acetamido-4-methylpentanoate
- IUPAC
- ethyl 2-acetamido-4-methylpentanoate
- English name
- N-Acetyl-L-leucine ethyl ester
- Molecular formula
- C10H19NO3
- Molecular weight
- 201.26
Names & synonyms
1114-55-2L-Leucine, N-acetyl-,ethyl esterethyl 2-acetamido-4-methylpentanoateNSC280767SCHEMBL5813379DTXSID50961112CVLYKMBNKKBAHO-UHFFFAOYSA-NDL-Leucine, N-acetyl-, ethyl esterAKOS034451110NSC-280767Leucine, N-acetyl-, ethyl ester, DL-NCGC00333826-01
Show more names
Ac-Leu-OEtAC-L-Leu.oetN-Acetyl-L-leucine ethyl esterLeucine, N-acetyl-, ethyl esterN-Acetyl-DL-leucine ethyl ester(S)-Ethyl 2-acetaMido-4-Methylpentanoate2-acetamido-4-methylpentanoic acid ethyl ester
AS-92844Ethyl 2-(acetylamino)-4-methylpentanoate #ETHYL 2-ACETAMIDO-4-METHYL-PENTANOATEAB01320205-02Z56760737N-(1-Ethoxy-4-methyl-1-oxopentan-2-yl)ethanimidic acid
Database identifiers
- CAS
1114-55-2、4071-36-7- PubChem CID
- 322674
- DTXSID
DTXSID50961112
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Boiling point
- 148 · 148-152 °C(Press: 7 Torr)
- Density
- 0.987 · 0.987±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.87 · 14.87±0.46(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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