3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid

C10H13N2O4+ — CID 3431523

IUPAC3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccc[nH+]c1)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(13)8(10(15)16)12-9(14)7-3-2-4-11-5-7/h2-6,8,13H,1H3,(H,12,14)(H,15,16)/p+1
InChIKeyQCKGJVLCGHIGBN-UHFFFAOYSA-O
MW225.22 g/mol
LogP-0.94
Rot. Bonds4

About 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid

3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid (PubChem CID 3431523) has the molecular formula C10H13N2O4+ and a molecular weight of 225.22 g/mol. Its IUPAC name is 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
PubChem CID3431523
Molecular FormulaC10H13N2O4+
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
SMILESCC(O)C(NC(=O)c1ccc[nH+]c1)C(=O)O
InChIInChI=1S/C10H12N2O4/c1-6(13)8(10(15)16)12-9(14)7-3-2-4-11-5-7/h2-6,8,13H,1H3,(H,12,14)(H,15,16)/p+1
InChIKeyQCKGJVLCGHIGBN-UHFFFAOYSA-O
XLogP-0.94
TPSA100.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic 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-methyl-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
CID 3988388
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
2-[(4-aminobenzoyl)amino]-3-hydroxybutanoic acid
CID 23364988
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
3-hydroxy-2-[[4-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 24707245
(2S,3R)-3-hydroxy-2-(quinoxaline-6-carbonylamino)butanoic acid
CID 104964409
(2S,3R)-3-hydroxy-2-[[3-(methoxymethyl)benzoyl]amino]butanoic acid
CID 104964995
(2S,3R)-2-[(3-amino-4-methylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965391
(2R,3S)-3-hydroxy-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 36690277
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
3-hydroxy-2-[[4-(methoxymethyl)benzoyl]amino]butanoic acid
CID 43238754

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid (CID 3431523) is 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid is CC(O)C(NC(=O)c1ccc[nH+]c1)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid?
The InChIKey is QCKGJVLCGHIGBN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H12N2O4/c1-6(13)8(10(15)16)12-9(14)7-3-2-4-11-5-7/h2-6,8,13H,1H3,(H,12,14)(H,15,16)/p+1.
What are the key properties of 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid?
3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid has a molecular weight of 225.22 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid is sourced from PubChem (CID 3431523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).