(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid

C11H21NO3 — CID 150887709

IUPAC(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCCC1CCCCC1
InChIInChI=1S/C11H21NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)/t10-/m1/s1
InChIKeyKXJKBPBNDNVEQF-SNVBAGLBSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid

(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid (PubChem CID 150887709) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
PubChem CID150887709
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NCCC1CCCCC1
InChIInChI=1S/C11H21NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)/t10-/m1/s1
InChIKeyKXJKBPBNDNVEQF-SNVBAGLBSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-cyclohexylethylamino)-4-methylpentanoic acid
CID 122037122
2-(2-cyclohexylethylamino)hexanoic acid
CID 103240091
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
2-(2-cycloheptylethylamino)propan-1-ol
CID 56854236
2-(2-cyclopentylethylamino)-3-methylbutanoic acid
CID 103240062
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2S)-6-cyclohexyl-2-(ethylamino)hexanoic acid
CID 57350778
2-(2-cyclobutylethylamino)butanamide
CID 115688602
2-amino-4-(2-cyclopentylethylamino)butanoic acid
CID 115241359

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid (CID 150887709) is (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NCCC1CCCCC1.
What is the InChIKey of (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid?
The InChIKey is KXJKBPBNDNVEQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21NO3/c13-8-10(11(14)15)12-7-6-9-4-2-1-3-5-9/h9-10,12-13H,1-8H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid?
(2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-cyclohexylethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 150887709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).