1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C15H19N3O2 — CID 60950947

IUPAC1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C15H19N3O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9,16H2,(H,17,19)
InChIKeyNPGFKEKEEVBHAC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 60950947) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID60950947
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1
InChIInChI=1S/C15H19N3O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9,16H2,(H,17,19)
InChIKeyNPGFKEKEEVBHAC-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.15
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

(2S)-1-(2-bromobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 93318065
N-cyclopropyl-1-(2-methylbenzoyl)pyrrolidine-2-carboxamide
CID 47158357
N-cyclopropyl-1-[2-(methylamino)benzoyl]pyrrolidine-2-carboxamide
CID 61378639
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
N-cyclopropyl-1-(2,3-dimethylbenzoyl)pyrrolidine-2-carboxamide
CID 78857677
1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 107074446
N-(4-aminocyclohexyl)-1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119477060
1-(2-bromo-5-methylbenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 80973644
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
1-(5-amino-2-methylpyridine-3-carbonyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61105363
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
(2R)-N-cyclopropyl-1-[4-[(2-methylbenzoyl)amino]benzoyl]pyrrolidine-2-carboxamide
CID 92729944

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 60950947) is 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is Nc1ccccc1C(=O)N1CCCC1C(=O)NC1CC1.
What is the InChIKey of 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is NPGFKEKEEVBHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-12-5-2-1-4-11(12)15(20)18-9-3-6-13(18)14(19)17-10-7-8-10/h1-2,4-5,10,13H,3,6-9,16H2,(H,17,19).
What are the key properties of 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 60950947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).