3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid

C15H22N2O4 — CID 120520770

IUPAC3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-10(4)13(15(19)20)17-14(18)11-7-6-8-12(16-11)21-9(2)3/h6-10,13H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyJPJUJZWHANITAT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.10
Rot. Bonds7

About 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid

3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid (PubChem CID 120520770) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
PubChem CID120520770
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1cccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-5-10(4)13(15(19)20)17-14(18)11-7-6-8-12(16-11)21-9(2)3/h6-10,13H,5H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyJPJUJZWHANITAT-UHFFFAOYSA-N
XLogP2.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-methyl-2-[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]pentanoic acid
CID 120517434
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(E)-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120693484
3-methyl-2-(quinoline-2-carbonylamino)pentanoic acid
CID 16795877
3-[(6-propan-2-yloxypyridine-2-carbonyl)amino]propanoic acid
CID 120515163
3-methyl-2-[(4-propan-2-yloxybenzoyl)amino]pentanoic acid
CID 43092234
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid (CID 120520770) is 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1cccc(OC(C)C)n1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid?
The InChIKey is JPJUJZWHANITAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-10(4)13(15(19)20)17-14(18)11-7-6-8-12(16-11)21-9(2)3/h6-10,13H,5H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid?
3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(6-propan-2-yloxypyridine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 120520770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).