(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide

C11H13N3O2 — CID 94076150

IUPAC(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(c2cccc(N)c2)C1
InChIInChI=1S/C11H13N3O2/c12-8-2-1-3-9(5-8)14-6-7(11(13)16)4-10(14)15/h1-3,5,7H,4,6,12H2,(H2,13,16)/t7-/m1/s1
InChIKeyLPHASJDRIDGGML-SSDOTTSWSA-N
MW219.24 g/mol
LogP0.11
Rot. Bonds2

About (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 94076150) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID94076150
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CC(=O)N(c2cccc(N)c2)C1
InChIInChI=1S/C11H13N3O2/c12-8-2-1-3-9(5-8)14-6-7(11(13)16)4-10(14)15/h1-3,5,7H,4,6,12H2,(H2,13,16)/t7-/m1/s1
InChIKeyLPHASJDRIDGGML-SSDOTTSWSA-N
XLogP0.11
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[3-[(4R)-4-carbamoyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 94076238
1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120547
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[3-(1,3-dioxolan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698374
1-(3-aminophenyl)-4-chloropyrrolidin-2-one
CID 168689822
1-[3-(methylaminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168696359
5-oxo-1-(3-thiophen-3-ylphenyl)pyrrolidine-3-carboxamide
CID 168698348
1-(3-aminophenyl)-4-sulfanylpyrrolidin-2-one
CID 168710578
1-[3-amino-5-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698266
6-(4-carbamoyl-2-oxopyrrolidin-1-yl)naphthalene-2-carboxylic acid
CID 168698344
1-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697775
1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50874085

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide (CID 94076150) is (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)[C@@H]1CC(=O)N(c2cccc(N)c2)C1.
What is the InChIKey of (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LPHASJDRIDGGML-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-8-2-1-3-9(5-8)14-6-7(11(13)16)4-10(14)15/h1-3,5,7H,4,6,12H2,(H2,13,16)/t7-/m1/s1.
What are the key properties of (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-aminophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94076150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).