1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

C15H19N3O3 — CID 107074446

IUPAC1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1O
InChIInChI=1S/C15H19N3O3/c16-11-6-3-9(8-13(11)19)15(21)18-7-1-2-12(18)14(20)17-10-4-5-10/h3,6,8,10,12,19H,1-2,4-5,7,16H2,(H,17,20)
InChIKeyZCWKUBGMXKTMKW-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.86
Rot. Bonds3

About 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide

1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 107074446) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID107074446
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
SMILESNc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1O
InChIInChI=1S/C15H19N3O3/c16-11-6-3-9(8-13(11)19)15(21)18-7-1-2-12(18)14(20)17-10-4-5-10/h3,6,8,10,12,19H,1-2,4-5,7,16H2,(H,17,20)
InChIKeyZCWKUBGMXKTMKW-UHFFFAOYSA-N
XLogP0.86
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
1-(2-aminobenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60950947
(2S)-N-cyclohexyl-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 10315888
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(4-amino-3-hydroxyphenyl)methanone
CID 107075495
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4-amino-3-hydroxyphenyl)methanone
CID 102739427
N-cyclopropyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-2-carboxamide
CID 86924377
N-cyclopropyl-1-(2-fluoropyridine-4-carbonyl)pyrrolidine-2-carboxamide
CID 61293291
N-cyclopentyl-1-(4-methylbenzoyl)pyrrolidine-2-carboxamide
CID 53015958
1-(4-amino-3-fluorobenzoyl)-N-methylpyrrolidine-2-carboxamide
CID 62681861
N-cyclopropyl-1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63979920
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
(2S)-N-cyclohexyl-1-[4-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 110285809

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide (CID 107074446) is 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is Nc1ccc(C(=O)N2CCCC2C(=O)NC2CC2)cc1O.
What is the InChIKey of 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is ZCWKUBGMXKTMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-6-3-9(8-13(11)19)15(21)18-7-1-2-12(18)14(20)17-10-4-5-10/h3,6,8,10,12,19H,1-2,4-5,7,16H2,(H,17,20).
What are the key properties of 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide?
1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-hydroxybenzoyl)-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 107074446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).