(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid

C11H21NO2 — CID 167112853

IUPAC(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
SMILESCCC1CCCC(C[C@@H](N)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-2-8-4-3-5-9(6-8)7-10(12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8?,9?,10-/m1/s1
InChIKeyZGAOAJWNEYPPFB-UDNWOFFPSA-N
MW199.29 g/mol
LogP2.00
Rot. Bonds4

About (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid

(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid (PubChem CID 167112853) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
PubChem CID167112853
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
SMILESCCC1CCCC(C[C@@H](N)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-2-8-4-3-5-9(6-8)7-10(12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8?,9?,10-/m1/s1
InChIKeyZGAOAJWNEYPPFB-UDNWOFFPSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
CID 167126196
2-amino-3-(3-nitrosocyclohexyl)propanoic acid
CID 170636643
2-amino-3-cyclopropylpropanoic acid
CID 519178
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-2-amino-3-(4-methylcyclohexyl)propanoic acid
CID 59382839
1-(3-ethylcyclohexyl)butan-2-ol
CID 79424228
(2S)-2-amino-3-(cyclobutylmethylsulfanyl)propanoic acid
CID 107773580
2-amino-1-(3-ethylcyclohexyl)pent-4-en-1-one
CID 116606831
2-amino-3-(1-ethylpiperidin-4-yl)propanoic acid
CID 83983041
(2S)-2-amino-3-cyclopropylpropanoic acid;(3S)-3-(cyclopropylmethyl)pentan-2-one
CID 159347857
3-amino-4-cyclohexylbutan-2-one
CID 20668322
(3-ethylcyclohexyl) (2R)-2-aminopropanoate
CID 78967083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid (CID 167112853) is (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid is CCC1CCCC(C[C@@H](N)C(=O)O)C1.
What is the InChIKey of (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The InChIKey is ZGAOAJWNEYPPFB-UDNWOFFPSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-8-4-3-5-9(6-8)7-10(12)11(13)14/h8-10H,2-7,12H2,1H3,(H,13,14)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
(2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-ethylcyclohexyl)propanoic acid is sourced from PubChem (CID 167112853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).