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

C11H21NO2 — CID 167126196

IUPAC(2S)-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-/m0/s1
InChIKeyZGAOAJWNEYPPFB-RTBKNWGFSA-N
MW199.29 g/mol
LogP2.00
Rot. Bonds4

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

(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid (PubChem CID 167126196) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid
PubChem CID167126196
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(2S)-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-/m0/s1
InChIKeyZGAOAJWNEYPPFB-RTBKNWGFSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid (CID 167126196) is (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid is CCC1CCCC(C[C@H](N)C(=O)O)C1.
What is the InChIKey of (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
The InChIKey is ZGAOAJWNEYPPFB-RTBKNWGFSA-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-/m0/s1.
What are the key properties of (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid?
(2S)-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 (2S)-2-amino-3-(3-ethylcyclohexyl)propanoic acid is sourced from PubChem (CID 167126196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).