2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid

C12H21NO3 — CID 102968613

IUPAC2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOC1CCCN(CC2(CC(=O)O)CC2)C1
InChIInChI=1S/C12H21NO3/c1-16-10-3-2-6-13(8-10)9-12(4-5-12)7-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyIAMCALLWQJJIGF-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

About 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid

2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid (PubChem CID 102968613) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
PubChem CID102968613
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
SMILESCOC1CCCN(CC2(CC(=O)O)CC2)C1
InChIInChI=1S/C12H21NO3/c1-16-10-3-2-6-13(8-10)9-12(4-5-12)7-11(14)15/h10H,2-9H2,1H3,(H,14,15)
InChIKeyIAMCALLWQJJIGF-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid
CID 65498439
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]ethanimidamide
CID 102958559
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102967450
2-[1-[(3,4-dimethoxypyrrolidin-1-yl)methyl]cyclopropyl]acetic acid
CID 103540468
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
2-[1-[(4-propan-2-ylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65497815
3-methoxy-1-[(4-propylpiperidin-4-yl)methyl]piperidine
CID 102963889
1-[(3-ethylpyrrolidin-3-yl)methyl]-3-methoxypiperidine
CID 102963677
3-[(3-methoxypiperidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 102967452
2-[1-[(4-tert-butylazepan-1-yl)methyl]cyclopropyl]acetic acid
CID 65498029
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
4-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]morpholine
CID 84592709

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid (CID 102968613) is 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid is COC1CCCN(CC2(CC(=O)O)CC2)C1.
What is the InChIKey of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
The InChIKey is IAMCALLWQJJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-16-10-3-2-6-13(8-10)9-12(4-5-12)7-11(14)15/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid?
2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methoxypiperidin-1-yl)methyl]cyclopropyl]acetic acid is sourced from PubChem (CID 102968613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).