[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate

HCID 9502237

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Basic information

CAS: 956731-35-4
Standard SMILES: CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)NC1CC1
InChIKey: WLSCCPWWTXSZHA-HNNXBMFYSA-N
Molecular formula: C17H21FN2O4
Average molar mass: 336.36 g/mol
Monoisotopic mass: 336.14853532

Names & identifiers

Preferred name: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
IUPAC: [2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate

Names & synonyms

MLS002251742CHEMBL1735655DTXSID301328866HMS3088P03AKOS001223466[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate956731-35-4SMR001314124Z967021712-(Cyclopropylamino)-2-oxoethyl N-(2-fluorobenzoyl)-L-valinate

Database identifiers

CAS: 956731-35-4
PubChem CID: 9502237
DTXSID: DTXSID301328866
ChEMBL: CHEMBL1735655

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 84.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 24
Formal charge: 0
Complexity: 479

Experimental & physicochemical properties

Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)

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Compound notes

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