1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid

C12H21NO2 — CID 115246539

IUPAC1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCC2CCCC2)CCC1
InChIInChI=1S/C12H21NO2/c14-11(15)12(6-3-7-12)9-13-8-10-4-1-2-5-10/h10,13H,1-9H2,(H,14,15)
InChIKeyWAPKJLJPZWRZIU-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.02
Rot. Bonds5

About 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid

1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246539) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115246539
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNCC2CCCC2)CCC1
InChIInChI=1S/C12H21NO2/c14-11(15)12(6-3-7-12)9-13-8-10-4-1-2-5-10/h10,13H,1-9H2,(H,14,15)
InChIKeyWAPKJLJPZWRZIU-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclobutylmethylamino)methyl]oxetane-3-carboxylic acid
CID 115248458
1-[(4-cyclohexylbutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81361691
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-(2-cyclohexylethyl)cycloheptane-1-carboxylic acid
CID 114193201
N-(cyclopentylmethyl)-1-(methylaminomethyl)cyclobutane-1-carboxamide
CID 115183725
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[(3-cyclopentylpropylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106005250
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246491
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
1-[(3-cyclopentylpropanoylamino)methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440979
1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433603
1-[(oxan-4-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436924

Frequently Asked Questions

What is the IUPAC name of 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid (CID 115246539) is 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNCC2CCCC2)CCC1.
What is the InChIKey of 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is WAPKJLJPZWRZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11(15)12(6-3-7-12)9-13-8-10-4-1-2-5-10/h10,13H,1-9H2,(H,14,15).
What are the key properties of 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).