(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

C12H16N2O4S — CID 104906521

IUPAC(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CCSC)C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-18-10-4-3-8(7-13-10)11(15)14-9(12(16)17)5-6-19-2/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyPKIDMTFCCJKANT-SECBINFHSA-N
MW284.34 g/mol
LogP1.03
Rot. Bonds7

About (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid

(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (PubChem CID 104906521) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
PubChem CID104906521
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
SMILESCOc1ccc(C(=O)N[C@H](CCSC)C(=O)O)cn1
InChIInChI=1S/C12H16N2O4S/c1-18-10-4-3-8(7-13-10)11(15)14-9(12(16)17)5-6-19-2/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyPKIDMTFCCJKANT-SECBINFHSA-N
XLogP1.03
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-2-[(6-methoxypyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820810
(2R)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497560
(2S)-2-[(4-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2497555
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 2190462
(2R)-2-[(4-fluoro-3-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 104906100
3-hydroxy-2-[(6-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43353726
2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 105063052
(2S)-2-[(6-methoxypyridine-3-carbonyl)amino]-2-phenylacetic acid
CID 93310081
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
4-methylsulfanyl-2-[(4-nitrobenzoyl)amino]butanoic acid
CID 15564658
(2R)-2-[(5-methylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104906391
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid (CID 104906521) is (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is COc1ccc(C(=O)N[C@H](CCSC)C(=O)O)cn1.
What is the InChIKey of (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
The InChIKey is PKIDMTFCCJKANT-SECBINFHSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-18-10-4-3-8(7-13-10)11(15)14-9(12(16)17)5-6-19-2/h3-4,7,9H,5-6H2,1-2H3,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid?
(2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid has a molecular weight of 284.34 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxypyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid is sourced from PubChem (CID 104906521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).