1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid

C14H25NO2 — CID 63622664

IUPAC1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-4-9-15(10-6-12)11-14(13(16)17)7-2-3-8-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyNHYFMJJKFMDOQX-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds3

About 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid

1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 63622664) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID63622664
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESCC1CCCN(CC2(C(=O)O)CCCC2)CC1
InChIInChI=1S/C14H25NO2/c1-12-5-4-9-15(10-6-12)11-14(13(16)17)7-2-3-8-14/h12H,2-11H2,1H3,(H,16,17)
InChIKeyNHYFMJJKFMDOQX-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-(piperidin-1-ylmethyl)cyclobutane-1-carboxylic acid
CID 83831372
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-[(3-methoxypiperidin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 102967450
1-[(4-methylazepan-1-yl)methyl]cyclohexan-1-amine
CID 63625982
3-[(3-methylpyrrolidin-1-yl)methyl]oxane-3-carboxylic acid
CID 63747250
1-[(1-fluorocyclopropyl)methyl]-4-methylazepane
CID 130667715
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
3,3-dimethyl-1-(4-methylazepan-1-yl)butan-2-one
CID 63622621
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cycloheptane-1-carboxylic acid
CID 115562002
1-[(4-methylsulfonylpiperazin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 63003828
1-ethyl-4-methylcycloheptane-1-carboxylic acid
CID 89094333
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 63622664) is 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid is CC1CCCN(CC2(C(=O)O)CCCC2)CC1.
What is the InChIKey of 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is NHYFMJJKFMDOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-12-5-4-9-15(10-6-12)11-14(13(16)17)7-2-3-8-14/h12H,2-11H2,1H3,(H,16,17).
What are the key properties of 1-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-methylazepan-1-yl)methyl]cyclopentane-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-[(4-methylazepan-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63622664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).