3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

C14H17N3O4 — CID 64670553

IUPAC3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CC(=O)O)c2c(C)noc2n1
InChIInChI=1S/C14H17N3O4/c1-7-5-9(11-8(2)17-21-13(11)15-7)12(20)16-14(3,4)6-10(18)19/h5H,6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKZYGTKASJZFZAH-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.82
Rot. Bonds4

About 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 64670553) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID64670553
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCc1cc(C(=O)NC(C)(C)CC(=O)O)c2c(C)noc2n1
InChIInChI=1S/C14H17N3O4/c1-7-5-9(11-8(2)17-21-13(11)15-7)12(20)16-14(3,4)6-10(18)19/h5H,6H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyKZYGTKASJZFZAH-UHFFFAOYSA-N
XLogP1.82
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid with MolForge

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Related Compounds

N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
N-(1-amino-2-methyl-1-oxobutan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71934582
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
3,6-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 71898052
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244

Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (CID 64670553) is 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is Cc1cc(C(=O)NC(C)(C)CC(=O)O)c2c(C)noc2n1.
What is the InChIKey of 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is KZYGTKASJZFZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-7-5-9(11-8(2)17-21-13(11)15-7)12(20)16-14(3,4)6-10(18)19/h5H,6H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 291.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 64670553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).