2-(1-cyclohexylethenylamino)propanoic acid

C11H19NO2 — CID 130335195

IUPAC2-(1-cyclohexylethenylamino)propanoic acid
SMILESC=C(NC(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10/h9-10,12H,1,3-7H2,2H3,(H,13,14)
InChIKeySBZKZGUGGDGLKN-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.14
Rot. Bonds4

About 2-(1-cyclohexylethenylamino)propanoic acid

2-(1-cyclohexylethenylamino)propanoic acid (PubChem CID 130335195) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-cyclohexylethenylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclohexylethenylamino)propanoic acid
PubChem CID130335195
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-cyclohexylethenylamino)propanoic acid
SMILESC=C(NC(C)C(=O)O)C1CCCCC1
InChIInChI=1S/C11H19NO2/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10/h9-10,12H,1,3-7H2,2H3,(H,13,14)
InChIKeySBZKZGUGGDGLKN-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopentanecarbonylamino)propanoylamino]propanoic acid
CID 119225683
(2R)-2-(cyclohexylcarbamothioylamino)propanoic acid
CID 40571788
2-(cyclohexylcarbamothioylamino)propanoic acid
CID 4134493
(2R)-2-[3-(cyclopentanecarbonylamino)butanoylamino]propanoic acid
CID 119244671
2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 119225718
(2S)-2-[[(2S)-2-(cyclopentanecarbonylamino)-3-methylbutanoyl]amino]propanoic acid
CID 54371595
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]propanoic acid
CID 78972171
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(2R)-2-[(3-cyclopentyl-2-methylpropanoyl)amino]propanoic acid
CID 103791111
(3R)-3-(cyclohexanecarbonylamino)butanoic acid
CID 51885508
2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylethenylamino)propanoic acid?
The IUPAC name of 2-(1-cyclohexylethenylamino)propanoic acid (CID 130335195) is 2-(1-cyclohexylethenylamino)propanoic acid.
What is the SMILES notation for 2-(1-cyclohexylethenylamino)propanoic acid?
The canonical SMILES for 2-(1-cyclohexylethenylamino)propanoic acid is C=C(NC(C)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-(1-cyclohexylethenylamino)propanoic acid?
The InChIKey is SBZKZGUGGDGLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(12-9(2)11(13)14)10-6-4-3-5-7-10/h9-10,12H,1,3-7H2,2H3,(H,13,14).
What are the key properties of 2-(1-cyclohexylethenylamino)propanoic acid?
2-(1-cyclohexylethenylamino)propanoic acid has a molecular weight of 197.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylethenylamino)propanoic acid is sourced from PubChem (CID 130335195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).