(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid

C10H12N2O4 — CID 843815

IUPAC(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
SMILESC[C@H](O)[C@@H](NC(=O)c1cccnc1)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)/t6-,8+/m0/s1
InChIKeyQCKGJVLCGHIGBN-POYBYMJQSA-N
MW224.22 g/mol
LogP-0.35
Rot. Bonds4

About (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid

(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid (PubChem CID 843815) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
PubChem CID843815
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
SMILESC[C@H](O)[C@@H](NC(=O)c1cccnc1)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)/t6-,8+/m0/s1
InChIKeyQCKGJVLCGHIGBN-POYBYMJQSA-N
XLogP-0.35
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
(2S,3R)-2-[[3-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoyl]benzoyl]amino]-3-hydroxybutanoic acid
CID 40571808
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
3-hydroxy-2-[(2-pyridin-3-ylacetyl)amino]butanoic acid
CID 55100610
2-[(6-bromopyridine-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66465881
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
3-hydroxy-2-(pyridin-1-ium-3-carbonylamino)butanoic acid
CID 3431523
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
3-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61200194
2-methyl-3-(pyridine-3-carbonylamino)propanoic acid
CID 53211442
2-[[6-(dimethylamino)pyridine-3-carbonyl]amino]-3-hydroxybutanoic acid
CID 43353682
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid?
The IUPAC name of (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid (CID 843815) is (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid is C[C@H](O)[C@@H](NC(=O)c1cccnc1)C(=O)O.
What is the InChIKey of (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid?
The InChIKey is QCKGJVLCGHIGBN-POYBYMJQSA-N. 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)/t6-,8+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid?
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 843815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).