(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

C16H18N4O4 — CID 94076238

IUPAC(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(c2cccc(N3C[C@@H](C(N)=O)CC3=O)c2)C1
InChIInChI=1S/C16H18N4O4/c17-15(23)9-4-13(21)19(7-9)11-2-1-3-12(6-11)20-8-10(16(18)24)5-14(20)22/h1-3,6,9-10H,4-5,7-8H2,(H2,17,23)(H2,18,24)/t9-,10+
InChIKeyZBQAXVIFZHAXMC-AOOOYVTPSA-N
MW330.34 g/mol
LogP-0.64
Rot. Bonds4

About (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94076238) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94076238
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(c2cccc(N3C[C@@H](C(N)=O)CC3=O)c2)C1
InChIInChI=1S/C16H18N4O4/c17-15(23)9-4-13(21)19(7-9)11-2-1-3-12(6-11)20-8-10(16(18)24)5-14(20)22/h1-3,6,9-10H,4-5,7-8H2,(H2,17,23)(H2,18,24)/t9-,10+
InChIKeyZBQAXVIFZHAXMC-AOOOYVTPSA-N
XLogP-0.64
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide 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

(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076150
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698374
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085
5-oxo-1-(3,4,5-trifluorophenyl)pyrrolidine-3-carboxamide
CID 168697904
1-(4-amino-3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697901
(3R)-5-oxo-1-[3-(pentanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 94076368

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide (CID 94076238) is (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is NC(=O)[C@@H]1CC(=O)N(c2cccc(N3C[C@@H](C(N)=O)CC3=O)c2)C1.
What is the InChIKey of (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZBQAXVIFZHAXMC-AOOOYVTPSA-N. The full InChI is InChI=1S/C16H18N4O4/c17-15(23)9-4-13(21)19(7-9)11-2-1-3-12(6-11)20-8-10(16(18)24)5-14(20)22/h1-3,6,9-10H,4-5,7-8H2,(H2,17,23)(H2,18,24)/t9-,10+.
What are the key properties of (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94076238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).