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

C18H23N3O4 — CID 119368132

IUPAC(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C18H23N3O4/c1-4-5-12-14-11(16(22)20-15(9(2)3)18(23)24)8-13(10-6-7-10)19-17(14)25-21-12/h8-10,15H,4-7H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyVHRMUCPFVZQKJB-OAHLLOKOSA-N
MW345.40 g/mol
LogP2.89
Rot. Bonds7

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

(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 119368132) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
PubChem CID119368132
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12
InChIInChI=1S/C18H23N3O4/c1-4-5-12-14-11(16(22)20-15(9(2)3)18(23)24)8-13(10-6-7-10)19-17(14)25-21-12/h8-10,15H,4-7H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1
InChIKeyVHRMUCPFVZQKJB-OAHLLOKOSA-N
XLogP2.89
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
(2R)-2-[(6-cyclopropyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368348
N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900
4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 119357130
6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86812538
N-[2-(aminomethyl)cyclopentyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119603784
(2S)-2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
N-[2-(aminomethyl)cyclohexyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119611474
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414
6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94112279

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid (CID 119368132) is (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is CCCc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C(=O)O)C(C)C)c12.
What is the InChIKey of (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is VHRMUCPFVZQKJB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-5-12-14-11(16(22)20-15(9(2)3)18(23)24)8-13(10-6-7-10)19-17(14)25-21-12/h8-10,15H,4-7H2,1-3H3,(H,20,22)(H,23,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid?
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 345.40 g/mol, XLogP of 2.89, 7 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-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 119368132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).