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

C14H17N3O4 — CID 65220171

IUPAC3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
SMILESCc1noc2ncc(C(=O)NCC(C(=O)O)C(C)C)cc12
InChIInChI=1S/C14H17N3O4/c1-7(2)11(14(19)20)6-15-12(18)9-4-10-8(3)17-21-13(10)16-5-9/h4-5,7,11H,6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyZTQHZELLZBLYAX-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.62
Rot. Bonds5

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

3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid (PubChem CID 65220171) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
PubChem CID65220171
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
SMILESCc1noc2ncc(C(=O)NCC(C(=O)O)C(C)C)cc12
InChIInChI=1S/C14H17N3O4/c1-7(2)11(14(19)20)6-15-12(18)9-4-10-8(3)17-21-13(10)16-5-9/h4-5,7,11H,6H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyZTQHZELLZBLYAX-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

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
2-methyl-5-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 104682580
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
(2S)-3-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 61174671
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
3-methyl-N-[(E)-pent-3-enyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115627788
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
N-(5-hydroxy-2,2-dimethylpentyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 103899308
N-[1-(hydroxymethyl)cyclopropyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 115764756

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid (CID 65220171) is 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid is Cc1noc2ncc(C(=O)NCC(C(=O)O)C(C)C)cc12.
What is the InChIKey of 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid?
The InChIKey is ZTQHZELLZBLYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-7(2)11(14(19)20)6-15-12(18)9-4-10-8(3)17-21-13(10)16-5-9/h4-5,7,11H,6H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid?
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65220171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).