1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C12H15N3O3 — CID 63030879

IUPAC1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESNc1ccccc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c13-9-3-1-2-4-10(9)14-12(18)15-6-5-8(7-15)11(16)17/h1-4,8H,5-7,13H2,(H,14,18)(H,16,17)
InChIKeyCEYUHNZMSRBOQQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.21
Rot. Bonds2

About 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030879) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63030879
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESNc1ccccc1NC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C12H15N3O3/c13-9-3-1-2-4-10(9)14-12(18)15-6-5-8(7-15)11(16)17/h1-4,8H,5-7,13H2,(H,14,18)(H,16,17)
InChIKeyCEYUHNZMSRBOQQ-UHFFFAOYSA-N
XLogP1.21
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.21
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

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-(2-aminobenzoyl)pyrrolidine-3-carboxylic acid
CID 22322640
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
1-[(2-cyclopentylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122075791
1-[(1-benzyl-2-oxo-3-pyridinyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122086570
3-N-(2-aminophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide;hydrochloride
CID 119422273
1-[[2-(3-methoxypropoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077530
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
N-(2-aminophenyl)-1-benzoylpiperidine-4-carboxamide
CID 119422490
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
1-(1-benzothiophen-7-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122080117

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63030879) is 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid is Nc1ccccc1NC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is CEYUHNZMSRBOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c13-9-3-1-2-4-10(9)14-12(18)15-6-5-8(7-15)11(16)17/h1-4,8H,5-7,13H2,(H,14,18)(H,16,17).
What are the key properties of 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63030879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).