(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid

C11H14N2O4 — CID 94402027

IUPAC(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C11H14N2O4/c1-6-4-3-5-12-8(6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17)/t7-,9+/m1/s1
InChIKeyQGHYKWWJDUOATC-APPZFPTMSA-N
MW238.24 g/mol
LogP-0.05
Rot. Bonds4

About (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid

(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (PubChem CID 94402027) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
PubChem CID94402027
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
SMILESCc1cccnc1C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChIInChI=1S/C11H14N2O4/c1-6-4-3-5-12-8(6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17)/t7-,9+/m1/s1
InChIKeyQGHYKWWJDUOATC-APPZFPTMSA-N
XLogP-0.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 79011144
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
2-hydroxy-4-[(3-methylpyridine-2-carbonyl)amino]butanoic acid
CID 107832742
N-(4-hydroxybutan-2-yl)-3-methylpyridine-2-carboxamide
CID 115283439
(2R)-2-[(3-methylpyridine-2-carbonyl)amino]pentanoic acid
CID 107563704
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 104741916
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
(2S,3R)-3-hydroxy-2-(quinoline-5-carbonylamino)butanoic acid
CID 104964931
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid (CID 94402027) is (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is Cc1cccnc1C(=O)N[C@H](C(=O)O)[C@@H](C)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
The InChIKey is QGHYKWWJDUOATC-APPZFPTMSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-4-3-5-12-8(6)10(15)13-9(7(2)14)11(16)17/h3-5,7,9,14H,1-2H3,(H,13,15)(H,16,17)/t7-,9+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid?
(2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid has a molecular weight of 238.24 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 (2S,3R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 94402027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).