(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid

C13H18N2O3 — CID 61173952

IUPAC(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccc(C)nc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-8(2)11(13(17)18)15-12(16)10-6-5-9(3)14-7-10/h5-8,11H,4H2,1-3H3,(H,15,16)(H,17,18)/t8?,11-/m0/s1
InChIKeyQFAKEMZUWZBHAJ-LYNSQETBSA-N
MW250.30 g/mol
LogP1.62
Rot. Bonds5

About (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid

(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid (PubChem CID 61173952) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
PubChem CID61173952
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid
SMILESCCC(C)[C@H](NC(=O)c1ccc(C)nc1)C(=O)O
InChIInChI=1S/C13H18N2O3/c1-4-8(2)11(13(17)18)15-12(16)10-6-5-9(3)14-7-10/h5-8,11H,4H2,1-3H3,(H,15,16)(H,17,18)/t8?,11-/m0/s1
InChIKeyQFAKEMZUWZBHAJ-LYNSQETBSA-N
XLogP1.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 30066832
3-hydroxy-2-[(6-methylpyridine-3-carbonyl)amino]butanoic acid
CID 16784411
(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
(2R,3S)-2-[(4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 2363261
(2R,3S)-3-methyl-2-[(4-propan-2-ylbenzoyl)amino]pentanoic acid
CID 51541225
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
(2S,3S)-3-methyl-2-[[4-(phenylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120517451
5-[(6-methylpyridine-3-carbonyl)amino]hexanoic acid
CID 82855069
(2R,3S)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 28979309

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid (CID 61173952) is (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid is CCC(C)[C@H](NC(=O)c1ccc(C)nc1)C(=O)O.
What is the InChIKey of (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
The InChIKey is QFAKEMZUWZBHAJ-LYNSQETBSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-4-8(2)11(13(17)18)15-12(16)10-6-5-9(3)14-7-10/h5-8,11H,4H2,1-3H3,(H,15,16)(H,17,18)/t8?,11-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid?
(2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[(6-methylpyridine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 61173952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).