ethyl (3S)-3-amino-3-(furan-3-yl)propanoate

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Basic information

CAS: 167834-30-2
Standard SMILES: CCOC(=O)C[C@H](N)c1ccoc1
InChIKey: GPICNQGICXGSGZ-QMMMGPOBSA-N
Molecular formula: C9H13NO3
Average molar mass: 183.2 g/mol
Monoisotopic mass: 183.08954328

Names & identifiers

Preferred name: ethyl (3S)-3-amino-3-(furan-3-yl)propanoate
IUPAC: ethyl (3S)-3-amino-3-(furan-3-yl)propanoate

Names & synonyms

ethyl (3S)-3-amino-3-(furan-3-yl)propanoate167834-30-2Ethyl (s)-3-amino-3-(furan-3-yl)propanoateSCHEMBL7416040DTXSID701226256AKOS012506985CS-0347964EN300-12852113-Furanpropanoic acid, I(2)-amino-, ethyl ester, (S)-

Database identifiers

CAS: 167834-30-2
PubChem CID: 7183142
DTXSID: DTXSID701226256
Nikkaji: J2.757.875F

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 65.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 172

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Compound notes

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