(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid

C17H23N3O4 — CID 119362063

IUPAC(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2c(C(C)C)noc2n1
InChIInChI=1S/C17H23N3O4/c1-8(2)6-12(17(22)23)19-15(21)11-7-10(5)18-16-13(11)14(9(3)4)20-24-16/h7-9,12H,6H2,1-5H3,(H,19,21)(H,22,23)/t12-/m0/s1
InChIKeyRWZVAXJKTBPFMV-LBPRGKRZSA-N
MW333.39 g/mol
LogP2.88
Rot. Bonds6

About (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid

(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid (PubChem CID 119362063) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
PubChem CID119362063
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid
SMILESCc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2c(C(C)C)noc2n1
InChIInChI=1S/C17H23N3O4/c1-8(2)6-12(17(22)23)19-15(21)11-7-10(5)18-16-13(11)14(9(3)4)20-24-16/h7-9,12H,6H2,1-5H3,(H,19,21)(H,22,23)/t12-/m0/s1
InChIKeyRWZVAXJKTBPFMV-LBPRGKRZSA-N
XLogP2.88
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
(2R)-2-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 107822981
N-(3-aminobutyl)-6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119497068
(2R)-4-methyl-2-[(1-methyl-3-propan-2-ylpyrazole-4-carbonyl)amino]pentanoic acid
CID 119363452
6-methyl-N-(3-piperazin-1-ylpropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119392497
3-[3-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 120613979
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
(2S)-4-methyl-2-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]pentanoic acid
CID 119360862
N-(1-amino-4-methylpentan-2-yl)-6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119586985
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
6-methyl-N-(piperidin-3-ylmethyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119462057
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid (CID 119362063) is (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid is Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)O)c2c(C(C)C)noc2n1.
What is the InChIKey of (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid?
The InChIKey is RWZVAXJKTBPFMV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-8(2)6-12(17(22)23)19-15(21)11-7-10(5)18-16-13(11)14(9(3)4)20-24-16/h7-9,12H,6H2,1-5H3,(H,19,21)(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid?
(2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid has a molecular weight of 333.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119362063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).