4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

C14H17N3O4 — CID 43353324

IUPAC4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCc1noc2ncc(C(=O)NC(CC(C)C)C(=O)O)cc12
InChIInChI=1S/C14H17N3O4/c1-7(2)4-11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLCOXAKJUYGROGR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.76
Rot. Bonds5

About 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid

4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (PubChem CID 43353324) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
PubChem CID43353324
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
SMILESCc1noc2ncc(C(=O)NC(CC(C)C)C(=O)O)cc12
InChIInChI=1S/C14H17N3O4/c1-7(2)4-11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyLCOXAKJUYGROGR-UHFFFAOYSA-N
XLogP1.76
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119364384
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
(2S)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)amino]-4-methylpentanoic acid
CID 119360944
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410
(2S)-2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 107832863
(2R)-2-[(5,6-dichloropyridine-3-carbonyl)amino]-4-methylpentanoic acid
CID 78975722
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 119361119
N-[(1R)-1-(furan-2-yl)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25497251
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid (CID 43353324) is 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is Cc1noc2ncc(C(=O)NC(CC(C)C)C(=O)O)cc12.
What is the InChIKey of 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
The InChIKey is LCOXAKJUYGROGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-7(2)4-11(14(19)20)16-12(18)9-5-10-8(3)17-21-13(10)15-6-9/h5-7,11H,4H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid?
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 43353324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).