Glycine, N,N-diisopentyl-, ethyl ester

HCID 17698

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Basic information

CAS: 2765-31-3
Standard SMILES: CCOC(=O)CN(CCC(C)C)CCC(C)C
InChIKey: TXUMSGFXVUDLSH-UHFFFAOYSA-N
Molecular formula: C14H29NO2
Average molar mass: 243.39 g/mol
Monoisotopic mass: 243.21982917

Names & identifiers

Preferred name: Glycine, N,N-diisopentyl-, ethyl ester
IUPAC: ethyl 2-[bis(3-methylbutyl)amino]acetate

Names & synonyms

N,N-Diisopentylglycine ethyl esterN,N-Diisoamyl ethyl glycinateGLYCINE, N,N-DIISOPENTYL-, ETHYL ESTERBRN 23626142765-31-3DTXSID30182025RefChem:346315DTXCID40104516Ethyl N,N-bis(3-methylbutyl)glycinate

Database identifiers

CAS: 2765-31-3
PubChem CID: 17698
DTXSID: DTXSID30182025
Nikkaji: J75.708J

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 190

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