2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid

C11H19NO2 — CID 103235511

IUPAC2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8-5-3-4-6-10(8)12-7-9(2)11(13)14/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyFFRNLEYDAVOKMR-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds4

About 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid

2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid (PubChem CID 103235511) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid
PubChem CID103235511
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid
SMILESC=C(CNC1CCCCC1C)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8-5-3-4-6-10(8)12-7-9(2)11(13)14/h8,10,12H,2-7H2,1H3,(H,13,14)
InChIKeyFFRNLEYDAVOKMR-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Heptylamino)methyl]prop-2-enoic acid
CID 87503931
2-[[Methyl-(4-methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 64114002
2-[[Cyclohexylmethyl(methyl)amino]methyl]prop-2-enoic acid
CID 64115255
2-[[Methyl-(3-methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 64115257
2-[[(4-Ethylcyclohexyl)-methylamino]methyl]prop-2-enoic acid
CID 64115884
2-[[Methyl-(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 64116098
2-[(Cyclohexylamino)methyl]prop-2-enoic acid
CID 103230838
(Z)-2-methyl-4-[(4-methylcyclohexyl)amino]but-2-enoic acid
CID 103233988
2-[[(4-Methylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234013
(Z)-4-[(2,3-dimethylcyclohexyl)amino]-2-methylbut-2-enoic acid
CID 103234686
2-[[(2,3-Dimethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103234709
(Z)-2-methyl-4-[(2-methylcyclohexyl)amino]but-2-enoic acid
CID 103235484

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid (CID 103235511) is 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid is C=C(CNC1CCCCC1C)C(=O)O.
What is the InChIKey of 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid?
The InChIKey is FFRNLEYDAVOKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-5-3-4-6-10(8)12-7-9(2)11(13)14/h8,10,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid?
2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methylcyclohexyl)amino]methyl]prop-2-enoic acid is sourced from PubChem (CID 103235511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).