N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide

C11H13N3O2 — CID 110482254

IUPACN-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESNc1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5,12H2,(H,13,16)(H,14,15)
InChIKeyQVIAFKFAWQLMPS-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.49
Rot. Bonds2

About N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide

N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 110482254) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID110482254
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
SMILESNc1cccc(NC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5,12H2,(H,13,16)(H,14,15)
InChIKeyQVIAFKFAWQLMPS-UHFFFAOYSA-N
XLogP0.49
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
N-(3-methylsulfonylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110793299
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
N-(3-aminophenyl)pyrrolidine-2-carboxamide
CID 110481304
3-[3-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 76907392
N-[3-(ethylaminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119438155
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2S)-N-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide;hydrochloride
CID 119420078
(2S)-N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 46997763
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide (CID 110482254) is N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide is Nc1cccc(NC(=O)C2CCC(=O)N2)c1.
What is the InChIKey of N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QVIAFKFAWQLMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-7-2-1-3-8(6-7)13-11(16)9-4-5-10(15)14-9/h1-3,6,9H,4-5,12H2,(H,13,16)(H,14,15).
What are the key properties of N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide?
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110482254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).