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

C13H15N3O5 — CID 107822981

IUPAC(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C13H15N3O5/c1-6-5-8(10-7(2)16-21-12(10)14-6)11(18)15-9(3-4-17)13(19)20/h5,9,17H,3-4H2,1-2H3,(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyKJMUENTXJXKQQV-SECBINFHSA-N
MW293.28 g/mol
LogP0.41
Rot. Bonds5

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

(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107822981) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107822981
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCc1cc(C(=O)N[C@H](CCO)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C13H15N3O5/c1-6-5-8(10-7(2)16-21-12(10)14-6)11(18)15-9(3-4-17)13(19)20/h5,9,17H,3-4H2,1-2H3,(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyKJMUENTXJXKQQV-SECBINFHSA-N
XLogP0.41
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119363650
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
CID 119362063
N-(1-hydroxy-3-methylpentan-2-yl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171148123
methyl (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-phenylpropanoate
CID 95394881
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
4-hydroxy-2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]butanoic acid
CID 61242547
N-(3-amino-2-hydroxy-3-oxopropyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107261244
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
(2S)-4-hydroxy-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 107822436
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid (CID 107822981) is (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid is Cc1cc(C(=O)N[C@H](CCO)C(=O)O)c2c(C)noc2n1.
What is the InChIKey of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is KJMUENTXJXKQQV-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-6-5-8(10-7(2)16-21-12(10)14-6)11(18)15-9(3-4-17)13(19)20/h5,9,17H,3-4H2,1-2H3,(H,15,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107822981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).