2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid

C13H25NO3 — CID 69166197

IUPAC2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
SMILESCCCC(NC[C@@H](O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-6-11(13(16)17)14-9-12(15)10-7-4-3-5-8-10/h10-12,14-15H,2-9H2,1H3,(H,16,17)/t11?,12-/m1/s1
InChIKeySZHUEVJTJRPJCK-PIJUOVFKSA-N
MW243.35 g/mol
LogP1.77
Rot. Bonds7

About 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid

2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid (PubChem CID 69166197) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
PubChem CID69166197
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid
SMILESCCCC(NC[C@@H](O)C1CCCCC1)C(=O)O
InChIInChI=1S/C13H25NO3/c1-2-6-11(13(16)17)14-9-12(15)10-7-4-3-5-8-10/h10-12,14-15H,2-9H2,1H3,(H,16,17)/t11?,12-/m1/s1
InChIKeySZHUEVJTJRPJCK-PIJUOVFKSA-N
XLogP1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic 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

1-cyclopentyl-2-(heptan-4-ylamino)ethanol
CID 115677140
1-cyclopentyl-2-(hexan-3-ylamino)ethanol
CID 115906323
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
2-[(2-hydroxycyclohexyl)methylamino]pentanoic acid
CID 83040701
2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pentanoic acid
CID 106174583
ethyl 2-[(2-cyclopropyl-2-hydroxyethyl)amino]butanoate
CID 64668765
2-(1-cyclohexylpropylamino)hexanoic acid
CID 103249990
1-cyclohexyl-2-(3-methylpentan-2-ylamino)ethanol
CID 115716443
(2S)-2-[[(3S)-3-cyclohexyl-3-hydroxypropyl]amino]nonanedioic acid
CID 70597266
2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
CID 83038523
2-(cyclohex-3-en-1-ylmethylamino)pentanoic acid
CID 83041207
N-cycloheptyl-2-methylpentanamide
CID 4532030

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid?
The IUPAC name of 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid (CID 69166197) is 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid is CCCC(NC[C@@H](O)C1CCCCC1)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid?
The InChIKey is SZHUEVJTJRPJCK-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H25NO3/c1-2-6-11(13(16)17)14-9-12(15)10-7-4-3-5-8-10/h10-12,14-15H,2-9H2,1H3,(H,16,17)/t11?,12-/m1/s1.
What are the key properties of 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid?
2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-cyclohexyl-2-hydroxyethyl]amino]pentanoic acid is sourced from PubChem (CID 69166197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).