4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid

C11H14N2O4 — CID 81445787

IUPAC4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccncc1O
InChIInChI=1S/C11H14N2O4/c1-7(2-3-10(15)16)13-11(17)8-4-5-12-6-9(8)14/h4-7,14H,2-3H2,1H3,(H,13,17)(H,15,16)
InChIKeyWLBPRPQWWFBTRQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.77
Rot. Bonds5

About 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid

4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 81445787) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
PubChem CID81445787
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1ccncc1O
InChIInChI=1S/C11H14N2O4/c1-7(2-3-10(15)16)13-11(17)8-4-5-12-6-9(8)14/h4-7,14H,2-3H2,1H3,(H,13,17)(H,15,16)
InChIKeyWLBPRPQWWFBTRQ-UHFFFAOYSA-N
XLogP0.77
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(3-hydroxypyridine-4-carbonyl)amino]ethyl]-5-methylhexanoic acid
CID 81438999
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
N-hexan-3-yl-3-hydroxypyridine-4-carboxamide
CID 81442686
3-hydroxy-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 80707403
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906495
N-(1,1-dimethoxypropan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 81445583
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxypyridine-4-carboxamide
CID 114300849
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 81442678
3-hydroxy-N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 81443089
3-hydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103862917
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid (CID 81445787) is 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1ccncc1O.
What is the InChIKey of 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is WLBPRPQWWFBTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(2-3-10(15)16)13-11(17)8-4-5-12-6-9(8)14/h4-7,14H,2-3H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid?
4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxypyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 81445787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).