3-[cyclopentylmethyl(ethyl)amino]butanoic acid

C12H23NO2 — CID 62825666

IUPAC3-[cyclopentylmethyl(ethyl)amino]butanoic acid
SMILESCCN(CC1CCCC1)C(C)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-13(10(2)8-12(14)15)9-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyLQGOOMSVLJMJMU-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.36
Rot. Bonds6

About 3-[cyclopentylmethyl(ethyl)amino]butanoic acid

3-[cyclopentylmethyl(ethyl)amino]butanoic acid (PubChem CID 62825666) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(ethyl)amino]butanoic acid
PubChem CID62825666
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[cyclopentylmethyl(ethyl)amino]butanoic acid
SMILESCCN(CC1CCCC1)C(C)CC(=O)O
InChIInChI=1S/C12H23NO2/c1-3-13(10(2)8-12(14)15)9-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyLQGOOMSVLJMJMU-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

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Related Compounds

2-[cyclobutylmethyl(ethyl)amino]butanoic acid
CID 107399547
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 107401070
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 107397516
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
2-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402367
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylpentanoic acid
CID 107401068
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoic acid
CID 61449220
2-[[cyclopentylmethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 63656971
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[cyclopentylmethyl(ethyl)amino]butanoic acid (CID 62825666) is 3-[cyclopentylmethyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[cyclopentylmethyl(ethyl)amino]butanoic acid is CCN(CC1CCCC1)C(C)CC(=O)O.
What is the InChIKey of 3-[cyclopentylmethyl(ethyl)amino]butanoic acid?
The InChIKey is LQGOOMSVLJMJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-13(10(2)8-12(14)15)9-11-6-4-5-7-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-[cyclopentylmethyl(ethyl)amino]butanoic acid?
3-[cyclopentylmethyl(ethyl)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 3-[cyclopentylmethyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62825666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).