(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid

C11H21NO3 — CID 157381240

IUPAC(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
SMILESN[C@H](C(=O)O)[C@@H](O)CCC1CCCCC1
InChIInChI=1S/C11H21NO3/c12-10(11(14)15)9(13)7-6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyBKXGNWBROCJHDL-UWVGGRQHSA-N
MW215.29 g/mol
LogP1.12
Rot. Bonds5

About (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid

(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid (PubChem CID 157381240) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
PubChem CID157381240
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid
SMILESN[C@H](C(=O)O)[C@@H](O)CCC1CCCCC1
InChIInChI=1S/C11H21NO3/c12-10(11(14)15)9(13)7-6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1
InChIKeyBKXGNWBROCJHDL-UWVGGRQHSA-N
XLogP1.12
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid?
The IUPAC name of (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid (CID 157381240) is (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid.
What is the SMILES notation for (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid?
The canonical SMILES for (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid is N[C@H](C(=O)O)[C@@H](O)CCC1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid?
The InChIKey is BKXGNWBROCJHDL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO3/c12-10(11(14)15)9(13)7-6-8-4-2-1-3-5-8/h8-10,13H,1-7,12H2,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid?
(2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-5-cyclohexyl-3-hydroxypentanoic acid is sourced from PubChem (CID 157381240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).