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

C15H19N3O4 — CID 119363650

IUPAC(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C15H19N3O4/c1-7(2)5-11(15(20)21)17-13(19)10-6-8(3)16-14-12(10)9(4)18-22-14/h6-7,11H,5H2,1-4H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyGORAKVGBLDNKSS-LLVKDONJSA-N
MW305.33 g/mol
LogP2.07
Rot. Bonds5

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

(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119363650) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119363650
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCc1cc(C(=O)N[C@H](CC(C)C)C(=O)O)c2c(C)noc2n1
InChIInChI=1S/C15H19N3O4/c1-7(2)5-11(15(20)21)17-13(19)10-6-8(3)16-14-12(10)9(4)18-22-14/h6-7,11H,5H2,1-4H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyGORAKVGBLDNKSS-LLVKDONJSA-N
XLogP2.07
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
CID 119362063
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
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
N-[(2R)-1-hydroxybutan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 103919940
N-(2-ethylbutyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 115612894
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
4-methyl-2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]pentanoic acid
CID 43353324
N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094
N-[(2S)-4-(furan-2-yl)butan-2-yl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51853074
3,6-dimethyl-N-[(1R)-3,3,3-trifluoro-1-phenylpropyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94631328

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-methylpentanoic acid?
The IUPAC name of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 119363650) is (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is Cc1cc(C(=O)N[C@H](CC(C)C)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-methylpentanoic acid?
The InChIKey is GORAKVGBLDNKSS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-7(2)5-11(15(20)21)17-13(19)10-6-8(3)16-14-12(10)9(4)18-22-14/h6-7,11H,5H2,1-4H3,(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 305.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-methylpentanoic acid is sourced from PubChem (CID 119363650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).