1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid

C14H25NO2 — CID 79694842

IUPAC1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
SMILESCC(C)C1CN(C2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(2)12-9-15(10-12)14(13(16)17)7-5-3-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHJHZXLOJIVPJPB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid

1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid (PubChem CID 79694842) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
PubChem CID79694842
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
SMILESCC(C)C1CN(C2(C(=O)O)CCCCCC2)C1
InChIInChI=1S/C14H25NO2/c1-11(2)12-9-15(10-12)14(13(16)17)7-5-3-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyHJHZXLOJIVPJPB-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235039
1-[(3-propan-2-ylazetidin-1-yl)methyl]cycloheptane-1-carboxylic acid
CID 113310916
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154
1-(2-azaspiro[3.3]heptan-2-yl)cycloheptane-1-carboxylic acid
CID 79694328
2-[1-(3-propan-2-ylazetidin-1-yl)cyclobutyl]acetic acid
CID 79851479
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 61291228
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1-(3,3-dimethylazetidin-1-yl)cyclobutane-1-carboxylic acid
CID 81166804
1-(4-oxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 69352996
1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
CID 91503415
1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235388
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid (CID 79694842) is 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid is CC(C)C1CN(C2(C(=O)O)CCCCCC2)C1.
What is the InChIKey of 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid?
The InChIKey is HJHZXLOJIVPJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)12-9-15(10-12)14(13(16)17)7-5-3-4-6-8-14/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid?
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 79694842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).