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

C13H15N3O4 — CID 62627993

IUPAC2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCc1cc(C(=O)N(C)C(C)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C13H15N3O4/c1-6-5-9(10-7(2)15-20-11(10)14-6)12(17)16(4)8(3)13(18)19/h5,8H,1-4H3,(H,18,19)
InChIKeyBGBWFHWPGKZLNL-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.38
Rot. Bonds3

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

2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid (PubChem CID 62627993) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
PubChem CID62627993
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Name2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid
SMILESCc1cc(C(=O)N(C)C(C)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C13H15N3O4/c1-6-5-9(10-7(2)15-20-11(10)14-6)12(17)16(4)8(3)13(18)19/h5,8H,1-4H3,(H,18,19)
InChIKeyBGBWFHWPGKZLNL-UHFFFAOYSA-N
XLogP1.38
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]acetic acid
CID 61022500
N,3,6-trimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 72925748
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
N-(1-aminopropan-2-yl)-N,3-dimethyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119582443
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271591
N,3,6-trimethyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18162206
N-cyclopropyl-N-(2-hydroxyethyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43577115
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N,3-dimethyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 39976233
1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983183
2-[(3,5-dimethoxyphenyl)methyl-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119197633
N,3,6-trimethyl-N-(thiophen-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18163513
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The IUPAC name of 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid (CID 62627993) is 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The canonical SMILES for 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid is Cc1cc(C(=O)N(C)C(C)C(=O)O)c2c(C)noc2n1.
What is the InChIKey of 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
The InChIKey is BGBWFHWPGKZLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-6-5-9(10-7(2)15-20-11(10)14-6)12(17)16(4)8(3)13(18)19/h5,8H,1-4H3,(H,18,19).
What are the key properties of 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid?
2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid has a molecular weight of 277.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]propanoic acid is sourced from PubChem (CID 62627993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).