2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid

C15H24N2O3 — CID 162973087

IUPAC2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)O)no1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-14-9-13(17-20-14)7-12-10-16-6-5-11(12)8-15(18)19/h9,11-12,16H,2-8,10H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyUHSWOXQCGYQWOH-NWDGAFQWSA-N
MW280.37 g/mol
LogP2.26
Rot. Bonds7

About 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid

2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (PubChem CID 162973087) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
PubChem CID162973087
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
SMILESCCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)O)no1
InChIInChI=1S/C15H24N2O3/c1-2-3-4-14-9-13(17-20-14)7-12-10-16-6-5-11(12)8-15(18)19/h9,11-12,16H,2-8,10H2,1H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyUHSWOXQCGYQWOH-NWDGAFQWSA-N
XLogP2.26
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid (CID 162973087) is 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is CCCCc1cc(C[C@@H]2CNCC[C@H]2CC(=O)O)no1.
What is the InChIKey of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
The InChIKey is UHSWOXQCGYQWOH-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-3-4-14-9-13(17-20-14)7-12-10-16-6-5-11(12)8-15(18)19/h9,11-12,16H,2-8,10H2,1H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid?
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 162973087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).