[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

C24H27ClN2O4 — CID 55941526

IUPAC[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C24H27ClN2O4/c1-16(2)21(27-22(29)18-10-6-7-11-19(18)25)23(30)31-14-20(28)26-15-24(12-13-24)17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3,(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyRQRYDUZVQBDVKF-NRFANRHFSA-N
MW442.94 g/mol
LogP3.49
Rot. Bonds9

About [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate

[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (PubChem CID 55941526) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
PubChem CID55941526
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C24H27ClN2O4/c1-16(2)21(27-22(29)18-10-6-7-11-19(18)25)23(30)31-14-20(28)26-15-24(12-13-24)17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3,(H,26,28)(H,27,29)/t21-/m0/s1
InChIKeyRQRYDUZVQBDVKF-NRFANRHFSA-N
XLogP3.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 42901361
benzyl (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531702
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7531932
(2-oxo-2-piperidin-1-ylethyl) (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 7442821
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 9491259
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 41320142
[2-(2-chloroanilino)-2-oxoethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate
CID 7573284
[2-oxo-2-(prop-2-ynylamino)ethyl] (2S)-2-[(2,4-dichlorobenzoyl)amino]-3-methylbutanoate
CID 8848035
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 3449153
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] (2R)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 2378628
(2R)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 30664714

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate (CID 55941526) is [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is RQRYDUZVQBDVKF-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27ClN2O4/c1-16(2)21(27-22(29)18-10-6-7-11-19(18)25)23(30)31-14-20(28)26-15-24(12-13-24)17-8-4-3-5-9-17/h3-11,16,21H,12-15H2,1-2H3,(H,26,28)(H,27,29)/t21-/m0/s1.
What are the key properties of [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate?
[2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 442.94 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(1-phenylcyclopropyl)methylamino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 55941526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).