(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H21N3O4 — CID 94662458

IUPAC(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-16(2,15(17)22)18-14(21)10-8-13(20)19(9-10)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,17,22)(H,18,21)/t10-/m0/s1
InChIKeyJISWSDLLBZFCKM-JTQLQIEISA-N
MW319.36 g/mol
LogP0.43
Rot. Bonds5

About (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94662458) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94662458
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1
InChIInChI=1S/C16H21N3O4/c1-16(2,15(17)22)18-14(21)10-8-13(20)19(9-10)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,17,22)(H,18,21)/t10-/m0/s1
InChIKeyJISWSDLLBZFCKM-JTQLQIEISA-N
XLogP0.43
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
N-tert-butyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6459120
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369838
N-[2-(aminomethyl)cyclopentyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119604994
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 94662458) is (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@@H](C(=O)NC(C)(C)C(N)=O)CC2=O)cc1.
What is the InChIKey of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JISWSDLLBZFCKM-JTQLQIEISA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,15(17)22)18-14(21)10-8-13(20)19(9-10)11-4-6-12(23-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,17,22)(H,18,21)/t10-/m0/s1.
What are the key properties of (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94662458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).