3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid

C11H19NO3 — CID 116959386

IUPAC3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
SMILESCNC(C1CCCC1)C1(C(=O)O)COC1
InChIInChI=1S/C11H19NO3/c1-12-9(8-4-2-3-5-8)11(10(13)14)6-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZQRFZMSWEMHWDZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.87
Rot. Bonds4

About 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid

3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid (PubChem CID 116959386) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
PubChem CID116959386
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid
SMILESCNC(C1CCCC1)C1(C(=O)O)COC1
InChIInChI=1S/C11H19NO3/c1-12-9(8-4-2-3-5-8)11(10(13)14)6-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyZQRFZMSWEMHWDZ-UHFFFAOYSA-N
XLogP0.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
1-[cyclopentyl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116958209
3-[methylamino-(1-methylpiperidin-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959390
1-[methylamino(oxan-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116958211
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
3-[2-methyl-1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959331
3-[1-(methylamino)propyl]oxetane-3-carboxylic acid
CID 116959327
1-cycloheptyl-N-methyl-1-(1-methylcyclopropyl)methanamine
CID 82931631
3-[dimethylamino-(1-methylpiperidin-3-yl)methyl]oxetane-3-carboxylic acid
CID 116912908
1-[1-(cyclopentylamino)ethyl]cyclopentane-1-carboxylic acid
CID 91470883
[1-[cyclohexyl(methylamino)methyl]cyclobutyl]methanol
CID 116959086
1-(1-cyclohexyl-2,2-dimethylpropyl)cyclohexane-1-carboxylic acid
CID 175103319

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid?
The IUPAC name of 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid (CID 116959386) is 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid is CNC(C1CCCC1)C1(C(=O)O)COC1.
What is the InChIKey of 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid?
The InChIKey is ZQRFZMSWEMHWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-12-9(8-4-2-3-5-8)11(10(13)14)6-15-7-11/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid?
3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methylamino)methyl]oxetane-3-carboxylic acid is sourced from PubChem (CID 116959386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).