3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid

C11H15N3O3 — CID 104742756

IUPAC3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1ncccc1N
InChIInChI=1S/C11H15N3O3/c1-2-7(6-9(15)16)14-11(17)10-8(12)4-3-5-13-10/h3-5,7H,2,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyAURIJQLBMGZDDV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.65
Rot. Bonds5

About 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid

3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 104742756) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
PubChem CID104742756
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC(CC(=O)O)NC(=O)c1ncccc1N
InChIInChI=1S/C11H15N3O3/c1-2-7(6-9(15)16)14-11(17)10-8(12)4-3-5-13-10/h3-5,7H,2,6,12H2,1H3,(H,14,17)(H,15,16)
InChIKeyAURIJQLBMGZDDV-UHFFFAOYSA-N
XLogP0.65
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminopyridine-2-carbonyl)amino]-4,4-dimethylpentanoic acid
CID 104742758
3-amino-N-(2-methylpentan-3-yl)pyridine-2-carboxamide
CID 104742079
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-[(3-aminopyridine-2-carbonyl)amino]-3-cyclopropylpropanoic acid
CID 113447809
4-[(3-aminopyridine-2-carbonyl)amino]-3-methoxybutanoic acid
CID 103157050
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 104741912
(3S)-3-[[(3-aminopyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 104742465
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
3-amino-N-(2-methyl-1-phenylpropyl)pyridine-2-carboxamide
CID 104741223
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid (CID 104742756) is 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid is CCC(CC(=O)O)NC(=O)c1ncccc1N.
What is the InChIKey of 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is AURIJQLBMGZDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-7(6-9(15)16)14-11(17)10-8(12)4-3-5-13-10/h3-5,7H,2,6,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid?
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 104742756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).