2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid

C10H19NO2 — CID 86324354

IUPAC2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCC(C)N1CCC[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-5-3-4-9(7-11)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyLPSCOVATVMOUAT-VIFPVBQESA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid

2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid (PubChem CID 86324354) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid
PubChem CID86324354
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid
SMILESCC(C)N1CCC[C@@H](CC(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-8(2)11-5-3-4-9(7-11)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyLPSCOVATVMOUAT-VIFPVBQESA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid (CID 86324354) is 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid is CC(C)N1CCC[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid?
The InChIKey is LPSCOVATVMOUAT-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-5-3-4-9(7-11)6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid?
2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-propan-2-ylpiperidin-3-yl]acetic acid is sourced from PubChem (CID 86324354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).