(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid

C10H12N2O4 — CID 107834157

IUPAC(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h1-2,4-5,8,13H,3,6H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyQLUPOWNVBMYUJK-QMMMGPOBSA-N
MW224.22 g/mol
LogP-0.35
Rot. Bonds5

About (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid

(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid (PubChem CID 107834157) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
PubChem CID107834157
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid
SMILESO=C(NCC[C@H](O)C(=O)O)c1ccncc1
InChIInChI=1S/C10H12N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h1-2,4-5,8,13H,3,6H2,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyQLUPOWNVBMYUJK-QMMMGPOBSA-N
XLogP-0.35
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-4-(pyridazine-4-carbonylamino)butanoic acid
CID 107834971
4-[(4-carbamoylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832721
4-[[4-(aminomethyl)benzoyl]amino]-2-hydroxybutanoic acid
CID 107836274
N-[(3R)-3-hydroxy-4,4-dimethylpentyl]pyridine-4-carboxamide
CID 95740949
4-[(4-cyanobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832074
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
(2S)-4-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-2-hydroxybutanoic acid
CID 114006582
(2S)-2-hydroxy-4-[(4-propan-2-yloxybenzoyl)amino]butanoic acid
CID 107833905
(2S)-4-[(3,5-dichlorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107834723
2-hydroxy-4-[(3,4,5-trifluorobenzoyl)amino]butanoic acid
CID 114006336
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-butylpyridine-4-carboxamide
CID 5030535

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid (CID 107834157) is (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid is O=C(NCC[C@H](O)C(=O)O)c1ccncc1.
What is the InChIKey of (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid?
The InChIKey is QLUPOWNVBMYUJK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8(10(15)16)3-6-12-9(14)7-1-4-11-5-2-7/h1-2,4-5,8,13H,3,6H2,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid?
(2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(pyridine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 107834157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).