2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid

C13H18N2O4 — CID 11912381

IUPAC2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyXIEPDRSFBRGFPA-UWVGGRQHSA-N
MW266.30 g/mol
LogP1.64
Rot. Bonds4

About 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid

2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 11912381) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid
PubChem CID11912381
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid
SMILESCC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/t9-,10-/m0/s1
InChIKeyXIEPDRSFBRGFPA-UWVGGRQHSA-N
XLogP1.64
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid (CID 11912381) is 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid is CC[C@H]1CN(C(=O)c2ccno2)CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is XIEPDRSFBRGFPA-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-2-9-8-15(6-4-10(9)7-12(16)17)13(18)11-3-5-14-19-11/h3,5,9-10H,2,4,6-8H2,1H3,(H,16,17)/t9-,10-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid?
2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(1,2-oxazole-5-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 11912381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).