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

C13H17N3O4 — CID 175212850

IUPAC2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)O)C1N
InChIInChI=1S/C13H17N3O4/c1-20-10-5-3-2-4-9(10)15-12(17)8-6-7-16(11(8)14)13(18)19/h2-5,8,11H,6-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyHZANUCQOZGRIDJ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.92
Rot. Bonds3

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

2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 175212850) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID175212850
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOc1ccccc1NC(=O)C1CCN(C(=O)O)C1N
InChIInChI=1S/C13H17N3O4/c1-20-10-5-3-2-4-9(10)15-12(17)8-6-7-16(11(8)14)13(18)19/h2-5,8,11H,6-7,14H2,1H3,(H,15,17)(H,18,19)
InChIKeyHZANUCQOZGRIDJ-UHFFFAOYSA-N
XLogP0.92
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
1-acetyl-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 6468496
4-amino-N-(2-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211303
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
2-tert-butyl-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 11846882
N-(2-methoxyphenyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134246
phenyl (2R)-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 800862
trans-(1R,2R)-2-[4-[(2-methoxyphenyl)carbamoyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 129468162
1-(2,2-dimethylpropanoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 17224335
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
trans-(1R,2R)-2-[[2-[(2-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982063

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid (CID 175212850) is 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid is COc1ccccc1NC(=O)C1CCN(C(=O)O)C1N.
What is the InChIKey of 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is HZANUCQOZGRIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-20-10-5-3-2-4-9(10)15-12(17)8-6-7-16(11(8)14)13(18)19/h2-5,8,11H,6-7,14H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid?
2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.92, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 175212850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).