3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid

C16H19N3O4 — CID 119227789

IUPAC3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)N(C)CC(C)C(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-8(16(21)22)7-19(3)15(20)11-6-12(10-4-5-10)17-14-13(11)9(2)18-23-14/h6,8,10H,4-5,7H2,1-3H3,(H,21,22)
InChIKeyHJASXYOJVLSALS-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.20
Rot. Bonds5

About 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 119227789) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID119227789
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1noc2nc(C3CC3)cc(C(=O)N(C)CC(C)C(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-8(16(21)22)7-19(3)15(20)11-6-12(10-4-5-10)17-14-13(11)9(2)18-23-14/h6,8,10H,4-5,7H2,1-3H3,(H,21,22)
InChIKeyHJASXYOJVLSALS-UHFFFAOYSA-N
XLogP2.20
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid with MolForge

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Related Compounds

3-[[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524366
N-(3-amino-2,2-dimethylpropyl)-6-cyclopropyl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119656768
2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119954747
6-cyclopropyl-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32895796
6-cyclopropyl-N,3-dimethyl-N-(4-methylcyclohexyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 32918771
6-cyclopropyl-N-[1-(4-methoxyphenyl)propan-2-yl]-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51130319
6-cyclopropyl-N-(2-hydroxyethyl)-3-methyl-N-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110887145
[(2R)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 51868591
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid (CID 119227789) is 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1noc2nc(C3CC3)cc(C(=O)N(C)CC(C)C(=O)O)c12.
What is the InChIKey of 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is HJASXYOJVLSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-8(16(21)22)7-19(3)15(20)11-6-12(10-4-5-10)17-14-13(11)9(2)18-23-14/h6,8,10H,4-5,7H2,1-3H3,(H,21,22).
What are the key properties of 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 119227789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).