2-(2-cyclopentylethylamino)-3-methylbutanoic acid

C12H23NO2 — CID 103240062

IUPAC2-(2-cyclopentylethylamino)-3-methylbutanoic acid
SMILESCC(C)C(NCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)11(12(14)15)13-8-7-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKPAQWWFYRWVSQH-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds6

About 2-(2-cyclopentylethylamino)-3-methylbutanoic acid

2-(2-cyclopentylethylamino)-3-methylbutanoic acid (PubChem CID 103240062) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2-cyclopentylethylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylamino)-3-methylbutanoic acid
PubChem CID103240062
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(2-cyclopentylethylamino)-3-methylbutanoic acid
SMILESCC(C)C(NCCC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO2/c1-9(2)11(12(14)15)13-8-7-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKPAQWWFYRWVSQH-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(3-cyclopentylpropylamino)-3-methylpentanoic acid
CID 122100235
(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
N-(2-cyclopentylethyl)-3-methylbutan-2-amine
CID 60920356
(2S)-2-(3-cyclobutylpropanoylamino)-3-methylbutanoic acid
CID 119360684
2-(2-cyclohexylethylcarbamoyl)-3-methylbutanoic acid
CID 115186283
2-(2-cyclopentylethylamino)-N-methylpropanamide
CID 60919372
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
CID 150887709
N-(2-cyclopentylethyl)propan-2-amine;molecular hydrogen
CID 165122655
(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylamino)-3-methylbutanoic acid?
The IUPAC name of 2-(2-cyclopentylethylamino)-3-methylbutanoic acid (CID 103240062) is 2-(2-cyclopentylethylamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(2-cyclopentylethylamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(2-cyclopentylethylamino)-3-methylbutanoic acid is CC(C)C(NCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethylamino)-3-methylbutanoic acid?
The InChIKey is KPAQWWFYRWVSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)11(12(14)15)13-8-7-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-cyclopentylethylamino)-3-methylbutanoic acid?
2-(2-cyclopentylethylamino)-3-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylamino)-3-methylbutanoic acid is sourced from PubChem (CID 103240062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).