2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid

C12H23NO3 — CID 79810260

IUPAC2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
SMILESCCC(CC)(NC1CCCCC1O)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(4-2,11(15)16)13-9-7-5-6-8-10(9)14/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyCXYSLHHIBHVMRG-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.52
Rot. Bonds5

About 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid

2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid (PubChem CID 79810260) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
PubChem CID79810260
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid
SMILESCCC(CC)(NC1CCCCC1O)C(=O)O
InChIInChI=1S/C12H23NO3/c1-3-12(4-2,11(15)16)13-9-7-5-6-8-10(9)14/h9-10,13-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyCXYSLHHIBHVMRG-UHFFFAOYSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[(2-hydroxycyclohexyl)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

trans-(1S,2S)-2-(3-methylpentan-3-ylamino)cyclohexan-1-ol
CID 106328921
2-(cyclopropylamino)-2-ethylbutanoic acid
CID 43754498
trans-(1S,2S)-2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclohexan-1-ol
CID 106175555
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
2-[(2-hydroxycyclohexyl)amino]acetic acid
CID 60886714
2-[(1-hydroxy-3-methylpentan-3-yl)amino]cyclopentan-1-ol
CID 106175834
2-[(2-cyclohexylacetyl)amino]-2-ethylbutanoic acid
CID 79806291
2-(cyclohexylamino)-2-[(4-hydroxyphenyl)methyl]butanoic acid
CID 69495970
2-(cyclobutylmethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804222
2-(ethylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methylpropanamide
CID 94878499

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid (CID 79810260) is 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid is CCC(CC)(NC1CCCCC1O)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid?
The InChIKey is CXYSLHHIBHVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-12(4-2,11(15)16)13-9-7-5-6-8-10(9)14/h9-10,13-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid?
2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-hydroxycyclohexyl)amino]butanoic acid is sourced from PubChem (CID 79810260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).