2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid

C14H27NO2 — CID 122128505

IUPAC2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(C)C1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-14(5-2,13(16)17)10-15-11(3)12-8-6-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyLCKQIWBEKQYYHT-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.05
Rot. Bonds7

About 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid

2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid (PubChem CID 122128505) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
PubChem CID122128505
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(C)C1CCCC1)C(=O)O
InChIInChI=1S/C14H27NO2/c1-4-14(5-2,13(16)17)10-15-11(3)12-8-6-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyLCKQIWBEKQYYHT-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-cyclopropylethylamino)methyl]-2-ethylbutanoic acid
CID 122128509
1-(1-cyclohexylethylamino)-2-methylbutan-2-ol
CID 65108537
2-[[(2-cyclopropylcyclohexyl)amino]methyl]-2-ethylbutanoic acid
CID 122128693
1-cyclopentyl-N-ethylethanamine
CID 60819244
2-ethyl-2-[[(2-propan-2-ylcyclobutyl)amino]methyl]butanoic acid
CID 122128335
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]benzoic acid
CID 81389676
2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine
CID 114941003
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343
methyl 2-[[(1S)-1-cyclopentylethyl]amino]acetate
CID 81395951
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid (CID 122128505) is 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(C)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid?
The InChIKey is LCKQIWBEKQYYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-14(5-2,13(16)17)10-15-11(3)12-8-6-7-9-12/h11-12,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid?
2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylethylamino)methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 122128505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).