4-[1-cyclopentylethyl(methyl)amino]butanoic acid

C12H23NO2 — CID 65068332

IUPAC4-[1-cyclopentylethyl(methyl)amino]butanoic acid
SMILESCC(C1CCCC1)N(C)CCCC(=O)O
InChIInChI=1S/C12H23NO2/c1-10(11-6-3-4-7-11)13(2)9-5-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFZIPKSINEXESAG-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 4-[1-cyclopentylethyl(methyl)amino]butanoic acid

4-[1-cyclopentylethyl(methyl)amino]butanoic acid (PubChem CID 65068332) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[1-cyclopentylethyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[1-cyclopentylethyl(methyl)amino]butanoic acid
PubChem CID65068332
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[1-cyclopentylethyl(methyl)amino]butanoic acid
SMILESCC(C1CCCC1)N(C)CCCC(=O)O
InChIInChI=1S/C12H23NO2/c1-10(11-6-3-4-7-11)13(2)9-5-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyFZIPKSINEXESAG-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[1-cyclopentylethyl(methyl)amino]butanoic 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

3-[1-cyclopropylethyl(methyl)amino]propanoic acid
CID 43420585
4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
CID 119172655
4-[1-cyclopropylpropyl(methyl)amino]butanoic acid
CID 65067773
5-cyclopentylhexanoic acid
CID 69016722
3-[N-(1-cyclohexylethyl)anilino]propanoic acid
CID 65059416
2-[1-cyclopentylethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426275
3-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-methylamino]propanoic acid
CID 60987133
4-[1-cyclopropylethyl(methyl)amino]-N'-hydroxybutanimidamide
CID 43569199
6-[[(1R)-1-cyclopentylethyl]amino]-6-oxohexanoic acid
CID 81385721
5-cyclobutyl-5-(dimethylamino)pentanoic acid
CID 116907953
4-[[cyclopentylmethyl(methyl)carbamoyl]-propan-2-ylamino]butanoic acid
CID 63655749
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentylethyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[1-cyclopentylethyl(methyl)amino]butanoic acid (CID 65068332) is 4-[1-cyclopentylethyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[1-cyclopentylethyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[1-cyclopentylethyl(methyl)amino]butanoic acid is CC(C1CCCC1)N(C)CCCC(=O)O.
What is the InChIKey of 4-[1-cyclopentylethyl(methyl)amino]butanoic acid?
The InChIKey is FZIPKSINEXESAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(11-6-3-4-7-11)13(2)9-5-8-12(14)15/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 4-[1-cyclopentylethyl(methyl)amino]butanoic acid?
4-[1-cyclopentylethyl(methyl)amino]butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentylethyl(methyl)amino]butanoic acid is sourced from PubChem (CID 65068332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).