(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C12H13N3O4 — CID 125147875

IUPAC(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C12H13N3O4/c13-10(16)8-4-3-7(6-14-8)11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5H2,(H2,13,16)(H,18,19)/t9-/m0/s1
InChIKeyFATHZHBSOFEXEA-VIFPVBQESA-N
MW263.25 g/mol
LogP-0.13
Rot. Bonds3

About (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 125147875) has the molecular formula C12H13N3O4 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID125147875
Molecular FormulaC12H13N3O4
Molecular Weight263.25 g/mol
Exact Mass263.09
IUPAC Name(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cn1
InChIInChI=1S/C12H13N3O4/c13-10(16)8-4-3-7(6-14-8)11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5H2,(H2,13,16)(H,18,19)/t9-/m0/s1
InChIKeyFATHZHBSOFEXEA-VIFPVBQESA-N
XLogP-0.13
TPSA113.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174
1-(6-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxamide
CID 63972948
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034423
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
1-(5-aminopyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 110488370

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 125147875) is (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is NC(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)O)cn1.
What is the InChIKey of (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FATHZHBSOFEXEA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O4/c13-10(16)8-4-3-7(6-14-8)11(17)15-5-1-2-9(15)12(18)19/h3-4,6,9H,1-2,5H2,(H2,13,16)(H,18,19)/t9-/m0/s1.
What are the key properties of (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125147875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).