4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid

C15H21N3O4 — CID 118947444

IUPAC4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)C(C)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H21N3O4/c1-8-7-18(15(20)21)9(2)5-11(8)16-14(19)12-6-13(22-17-12)10-3-4-10/h6,8-11H,3-5,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyOUKSGJOTELKLPY-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.06
Rot. Bonds3

About 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid

4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid (PubChem CID 118947444) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
PubChem CID118947444
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)C(C)CC1NC(=O)c1cc(C2CC2)on1
InChIInChI=1S/C15H21N3O4/c1-8-7-18(15(20)21)9(2)5-11(8)16-14(19)12-6-13(22-17-12)10-3-4-10/h6,8-11H,3-5,7H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyOUKSGJOTELKLPY-UHFFFAOYSA-N
XLogP2.06
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid (CID 118947444) is 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid is CC1CN(C(=O)O)C(C)CC1NC(=O)c1cc(C2CC2)on1.
What is the InChIKey of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid?
The InChIKey is OUKSGJOTELKLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-8-7-18(15(20)21)9(2)5-11(8)16-14(19)12-6-13(22-17-12)10-3-4-10/h6,8-11H,3-5,7H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid?
4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,5-dimethylpiperidine-1-carboxylic acid is sourced from PubChem (CID 118947444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).