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

C16H19N3O4 — CID 119348501

IUPAC2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-3-4-11-13-10(14(20)17-8(2)16(21)22)7-12(9-5-6-9)18-15(13)23-19-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQGSLQNDNTBEOQZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.26
Rot. Bonds6

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

2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid (PubChem CID 119348501) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
PubChem CID119348501
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C16H19N3O4/c1-3-4-11-13-10(14(20)17-8(2)16(21)22)7-12(9-5-6-9)18-15(13)23-19-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,21,22)
InChIKeyQGSLQNDNTBEOQZ-UHFFFAOYSA-N
XLogP2.26
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
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
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-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]hexanoic acid
CID 120615622
6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94112279
6-cyclopropyl-N-(1-hydroxypropan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78875339
6-cyclopropyl-N-(1-hydroxybutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 110891714

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid (CID 119348501) is 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid is CCCc1noc2nc(C3CC3)cc(C(=O)NC(C)C(=O)O)c12.
What is the InChIKey of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is QGSLQNDNTBEOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-3-4-11-13-10(14(20)17-8(2)16(21)22)7-12(9-5-6-9)18-15(13)23-19-11/h7-9H,3-6H2,1-2H3,(H,17,20)(H,21,22).
What are the key properties of 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid?
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 317.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119348501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).