(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid

C11H14N2O4S — CID 104906495

IUPAC(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)c1ccncc1O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-18-5-3-8(11(16)17)13-10(15)7-2-4-12-6-9(7)14/h2,4,6,8,14H,3,5H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyZGVTWVNDMLDMQK-MRVPVSSYSA-N
MW270.31 g/mol
LogP0.72
Rot. Bonds6

About (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid

(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 104906495) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID104906495
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCSCC[C@@H](NC(=O)c1ccncc1O)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-18-5-3-8(11(16)17)13-10(15)7-2-4-12-6-9(7)14/h2,4,6,8,14H,3,5H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1
InChIKeyZGVTWVNDMLDMQK-MRVPVSSYSA-N
XLogP0.72
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]butanoic acid
CID 81445874
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 40553433
2-[(2-hydroxy-4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 24697031
2-[(5-fluoro-2-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 115298397
4-methylsulfanyl-2-[(2-methylsulfanylpyridine-3-carbonyl)amino]butanoic acid
CID 2778555
(2R)-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104941436
(2S)-2-[(2-chloro-5-hydroxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 106500234
(2S)-2-[(4-chloro-6-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114036564
2-[(4-methyl-3-pyridinyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 63327509
(2R)-2-[[2-(methylamino)pyridine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 126446245
2-[(2-bromobenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 3847081

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid (CID 104906495) is (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid is CSCC[C@@H](NC(=O)c1ccncc1O)C(=O)O.
What is the InChIKey of (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is ZGVTWVNDMLDMQK-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18-5-3-8(11(16)17)13-10(15)7-2-4-12-6-9(7)14/h2,4,6,8,14H,3,5H2,1H3,(H,13,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-hydroxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104906495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).