(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

C18H23N3O4 — CID 119368348

IUPAC(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C18H23N3O4/c1-8(2)14-13-11(16(22)20-15(9(3)4)18(23)24)7-12(10-5-6-10)19-17(13)25-21-14/h7-10,15H,5-6H2,1-4H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyWPUQZKAAIQAXAU-OAHLLOKOSA-N
MW345.40 g/mol
LogP3.06
Rot. Bonds6

About (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid

(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119368348) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119368348
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C18H23N3O4/c1-8(2)14-13-11(16(22)20-15(9(3)4)18(23)24)7-12(10-5-6-10)19-17(13)25-21-14/h7-10,15H,5-6H2,1-4H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyWPUQZKAAIQAXAU-OAHLLOKOSA-N
XLogP3.06
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (CID 119368348) is (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12.
What is the InChIKey of (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is WPUQZKAAIQAXAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-8(2)14-13-11(16(22)20-15(9(3)4)18(23)24)7-12(10-5-6-10)19-17(13)25-21-14/h7-10,15H,5-6H2,1-4H3,(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 345.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119368348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).