propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate

C24H27ClN2O5 — CID 31864541

IUPACpropan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C24H27ClN2O5/c1-15(2)32-23(29)14-20(16-6-9-18(31-3)10-7-16)26-24(30)17-8-11-19(25)21(13-17)27-12-4-5-22(27)28/h6-11,13,15,20H,4-5,12,14H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyKUKQFPOIFCARFS-FQEVSTJZSA-N
MW458.94 g/mol
LogP4.29
Rot. Bonds8

About propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate

propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 31864541) has the molecular formula C24H27ClN2O5 and a molecular weight of 458.94 g/mol. Its IUPAC name is propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namepropan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
PubChem CID31864541
Molecular FormulaC24H27ClN2O5
Molecular Weight458.94 g/mol
Exact Mass458.16
IUPAC Namepropan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1
InChIInChI=1S/C24H27ClN2O5/c1-15(2)32-23(29)14-20(16-6-9-18(31-3)10-7-16)26-24(30)17-8-11-19(25)21(13-17)27-12-4-5-22(27)28/h6-11,13,15,20H,4-5,12,14H2,1-3H3,(H,26,30)/t20-/m0/s1
InChIKeyKUKQFPOIFCARFS-FQEVSTJZSA-N
XLogP4.29
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate 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

methyl 3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-phenylpropanoate
CID 24516853
4-chloro-N-(4-methoxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9042234
4-chloro-N-[4-(4-methoxyanilino)phenyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18292701
propan-2-yl 3-[[4-chloro-3-(dimethylsulfamoyl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516750
4-chloro-3-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-phenylethyl]benzamide
CID 9032786
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538
N-benzhydryl-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9046061
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 51577737
ethyl (3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7310426
methyl (2S)-2-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-4-methylsulfanylbutanoate
CID 9427181
N-[1-(4-methoxyphenyl)propyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 24547712
4-chloro-N-[(1R)-1-(furan-2-yl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9482256

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate (CID 31864541) is propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate is COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1.
What is the InChIKey of propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is KUKQFPOIFCARFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H27ClN2O5/c1-15(2)32-23(29)14-20(16-6-9-18(31-3)10-7-16)26-24(30)17-8-11-19(25)21(13-17)27-12-4-5-22(27)28/h6-11,13,15,20H,4-5,12,14H2,1-3H3,(H,26,30)/t20-/m0/s1.
What are the key properties of propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate?
propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 458.94 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3S)-3-[[4-chloro-3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 31864541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).