3,4-dihydroxy-4-pyridin-2-ylbutanoic acid

C9H11NO4 — CID 171877086

IUPAC3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccccn1
InChIInChI=1S/C9H11NO4/c11-7(5-8(12)13)9(14)6-3-1-2-4-10-6/h1-4,7,9,11,14H,5H2,(H,12,13)
InChIKeyGPGNCTKVEDPZEV-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.05
Rot. Bonds4

About 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid

3,4-dihydroxy-4-pyridin-2-ylbutanoic acid (PubChem CID 171877086) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
PubChem CID171877086
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccccn1
InChIInChI=1S/C9H11NO4/c11-7(5-8(12)13)9(14)6-3-1-2-4-10-6/h1-4,7,9,11,14H,5H2,(H,12,13)
InChIKeyGPGNCTKVEDPZEV-UHFFFAOYSA-N
XLogP-0.05
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydroxy-4-pyridin-2-ylbutanoic 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

3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-pyridin-2-ylbutanedioic acid
CID 67462885
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
4-amino-1-pyridin-2-ylbutane-1,2-diol
CID 171880668
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877149
2,3-dihydroxy-3-pyridin-2-ylpropanamide
CID 171867575
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
(3S,4R)-4-hydroxy-3-methyl-4-pyridin-2-ylbutan-2-one
CID 130697576
4-(diethylamino)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 112516163
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
(1S)-2-methyl-1-pyridin-2-ylpropan-1-ol
CID 51670363

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid (CID 171877086) is 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid is O=C(O)CC(O)C(O)c1ccccn1.
What is the InChIKey of 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid?
The InChIKey is GPGNCTKVEDPZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7(5-8(12)13)9(14)6-3-1-2-4-10-6/h1-4,7,9,11,14H,5H2,(H,12,13).
What are the key properties of 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid?
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid has a molecular weight of 197.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 171877086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).