3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid

C17H26N2O2 — CID 63861972

IUPAC3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid
SMILESCCC1CCCCC1N(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C17H26N2O2/c1-2-13-7-3-5-9-15(13)19(12-11-17(20)21)16-10-6-4-8-14(16)18/h4,6,8,10,13,15H,2-3,5,7,9,11-12,18H2,1H3,(H,20,21)
InChIKeyFFTYFCXMBHADKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.52
Rot. Bonds6

About 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid

3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid (PubChem CID 63861972) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid
PubChem CID63861972
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid
SMILESCCC1CCCCC1N(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C17H26N2O2/c1-2-13-7-3-5-9-15(13)19(12-11-17(20)21)16-10-6-4-8-14(16)18/h4,6,8,10,13,15H,2-3,5,7,9,11-12,18H2,1H3,(H,20,21)
InChIKeyFFTYFCXMBHADKD-UHFFFAOYSA-N
XLogP3.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
2-N-(2-ethylcyclohexyl)-2-N-methylbenzene-1,2-diamine
CID 63861614
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
3-[2-amino-N-[(5,5-dimethyloxolan-2-yl)methyl]anilino]propanoic acid
CID 116522214
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
3-[2-amino-N-(5-hydroxypentyl)anilino]propanoic acid
CID 63118452
3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 115942878
2-[[ethyl-(2-ethylcyclohexyl)amino]methyl]aniline
CID 63863049
2-[2-amino-N-(cycloheptanecarbonyl)anilino]acetic acid
CID 63118253

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid?
The IUPAC name of 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid (CID 63861972) is 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid.
What is the SMILES notation for 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid?
The canonical SMILES for 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid is CCC1CCCCC1N(CCC(=O)O)c1ccccc1N.
What is the InChIKey of 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid?
The InChIKey is FFTYFCXMBHADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-13-7-3-5-9-15(13)19(12-11-17(20)21)16-10-6-4-8-14(16)18/h4,6,8,10,13,15H,2-3,5,7,9,11-12,18H2,1H3,(H,20,21).
What are the key properties of 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid?
3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid has a molecular weight of 290.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-(2-ethylcyclohexyl)anilino)propanoic acid is sourced from PubChem (CID 63861972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).