1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

C12H15N3O3 — CID 60959099

IUPAC1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccccc1N
InChIInChI=1S/C12H15N3O3/c13-9-4-2-1-3-8(9)12(18)15-6-7(16)5-10(15)11(14)17/h1-4,7,10,16H,5-6,13H2,(H2,14,17)
InChIKeyGEXMLJDXQVVKDQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.67
Rot. Bonds2

About 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide

1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 60959099) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID60959099
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESNC(=O)C1CC(O)CN1C(=O)c1ccccc1N
InChIInChI=1S/C12H15N3O3/c13-9-4-2-1-3-8(9)12(18)15-6-7(16)5-10(15)11(14)17/h1-4,7,10,16H,5-6,13H2,(H2,14,17)
InChIKeyGEXMLJDXQVVKDQ-UHFFFAOYSA-N
XLogP-0.67
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
1-[2-(ethylamino)benzoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 63108174
1-(5-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60954721
1-(4-bromo-2-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60954722
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
1-(4-amino-3-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 62680969
1-(4-amino-1H-pyrazole-5-carbonyl)-4-hydroxypyrrolidine-2-carboxamide
CID 63102687
benzyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 18520553
(2S)-1-[2-(difluoromethoxy)benzoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153085
1-(2-anilinoacetyl)-4-hydroxypyrrolidine-2-carboxamide
CID 54874193
(2S,4R)-4-hydroxy-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 63856754

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 60959099) is 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is NC(=O)C1CC(O)CN1C(=O)c1ccccc1N.
What is the InChIKey of 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is GEXMLJDXQVVKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-9-4-2-1-3-8(9)12(18)15-6-7(16)5-10(15)11(14)17/h1-4,7,10,16H,5-6,13H2,(H2,14,17).
What are the key properties of 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 60959099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).