2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid

C12H21NO3 — CID 62690444

IUPAC2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C12H21NO3/c14-12(15)6-10-2-1-4-13(7-10)8-11-3-5-16-9-11/h10-11H,1-9H2,(H,14,15)
InChIKeyRAWLVFNYSCYPOF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.21
Rot. Bonds4

About 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid

2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid (PubChem CID 62690444) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
PubChem CID62690444
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC2CCOC2)C1
InChIInChI=1S/C12H21NO3/c14-12(15)6-10-2-1-4-13(7-10)8-11-3-5-16-9-11/h10-11H,1-9H2,(H,14,15)
InChIKeyRAWLVFNYSCYPOF-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxolan-3-ylmethyl)piperidine-3-carbaldehyde
CID 62655300
N-methyl-1-[1-(oxolan-3-ylmethyl)piperidin-3-yl]methanamine
CID 61204128
2-[1-[(4-propan-2-ylcyclohexyl)methyl]piperidin-3-yl]acetic acid
CID 155068611
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
1-(oxolan-3-ylmethyl)pyrrolidine
CID 66580688
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556911
[1-(oxan-4-ylmethyl)piperidin-3-yl]methanol
CID 62387002
1-(oxan-3-ylmethyl)piperidin-3-amine
CID 63741135
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356
2-[(3R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 86324388
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid (CID 62690444) is 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CC2CCOC2)C1.
What is the InChIKey of 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid?
The InChIKey is RAWLVFNYSCYPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-12(15)6-10-2-1-4-13(7-10)8-11-3-5-16-9-11/h10-11H,1-9H2,(H,14,15).
What are the key properties of 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid?
2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-3-ylmethyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).