1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid

C16H29NO2 — CID 113310913

IUPAC1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
SMILESCCC1(CC)CN(CC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-3-15(4-2)11-17(12-15)13-16(14(18)19)9-7-5-6-8-10-16/h3-13H2,1-2H3,(H,18,19)
InChIKeyPWWFTGKRXUHSEI-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.53
Rot. Bonds5

About 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid

1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid (PubChem CID 113310913) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
PubChem CID113310913
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
SMILESCCC1(CC)CN(CC2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-3-15(4-2)11-17(12-15)13-16(14(18)19)9-7-5-6-8-10-16/h3-13H2,1-2H3,(H,18,19)
InChIKeyPWWFTGKRXUHSEI-UHFFFAOYSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-azaspiro[3.6]decan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115444857
1-(5-azaspiro[2.3]hexan-5-ylmethyl)cyclohexane-1-carboxylic acid
CID 115437046
1-(2-azaspiro[3.5]nonan-2-ylmethyl)cyclobutane-1-carboxylic acid
CID 115447033
1-(2-azaspiro[3.3]heptan-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 113310914
4-(2-azaspiro[3.5]nonan-2-ylmethyl)oxane-4-carboxylic acid
CID 113310310
1-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
1-[(3-ethylazetidin-1-yl)methyl]cyclobutane-1-carboxylic acid
CID 115447036
3-ethyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidine-3-carboxylic acid
CID 65213623
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid (CID 113310913) is 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid is CCC1(CC)CN(CC2(C(=O)O)CCCCCC2)C1.
What is the InChIKey of 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid?
The InChIKey is PWWFTGKRXUHSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-15(4-2)11-17(12-15)13-16(14(18)19)9-7-5-6-8-10-16/h3-13H2,1-2H3,(H,18,19).
What are the key properties of 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid?
1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-diethylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 113310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).