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

C14H17N3O4 — CID 79265302

IUPAC2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCc1noc2ncc(C(=O)N(CC(=O)O)C(C)(C)C)cc12
InChIInChI=1S/C14H17N3O4/c1-8-10-5-9(6-15-12(10)21-16-8)13(20)17(7-11(18)19)14(2,3)4/h5-6H,7H2,1-4H3,(H,18,19)
InChIKeyHQBQTIIYRDDBDR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.86
Rot. Bonds3

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

2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid (PubChem CID 79265302) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
PubChem CID79265302
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
SMILESCc1noc2ncc(C(=O)N(CC(=O)O)C(C)(C)C)cc12
InChIInChI=1S/C14H17N3O4/c1-8-10-5-9(6-15-12(10)21-16-8)13(20)17(7-11(18)19)14(2,3)4/h5-6H,7H2,1-4H3,(H,18,19)
InChIKeyHQBQTIIYRDDBDR-UHFFFAOYSA-N
XLogP1.86
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)-prop-2-enylamino]acetic acid
CID 79263557
N,N-bis(2-hydroxyethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 61236027
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119653779
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119653778
N-butan-2-yl-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 56684520
2-[tert-butyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 79266405
N-(2-amino-2-methylpropyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119627151
2-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 61261892
2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64604347
3-methyl-2-[[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]methyl]butanoic acid
CID 65220171
(2S)-3,3-dimethyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]butanoic acid
CID 61144104
2-hydroxy-3-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]propanoic acid
CID 66166410

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid (CID 79265302) is 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid is Cc1noc2ncc(C(=O)N(CC(=O)O)C(C)(C)C)cc12.
What is the InChIKey of 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
The InChIKey is HQBQTIIYRDDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-8-10-5-9(6-15-12(10)21-16-8)13(20)17(7-11(18)19)14(2,3)4/h5-6H,7H2,1-4H3,(H,18,19).
What are the key properties of 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid?
2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid has a molecular weight of 291.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 79265302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).