4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid

C11H19NO2 — CID 60810362

IUPAC4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=C(C)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-8(2)7-12-10-5-3-9(4-6-10)11(13)14/h9-10,12H,1,3-7H2,2H3,(H,13,14)
InChIKeyWFKUKIGYXLWIFX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.80
Rot. Bonds4

About 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid

4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid (PubChem CID 60810362) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid
PubChem CID60810362
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid
SMILESC=C(C)CNC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H19NO2/c1-8(2)7-12-10-5-3-9(4-6-10)11(13)14/h9-10,12H,1,3-7H2,2H3,(H,13,14)
InChIKeyWFKUKIGYXLWIFX-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Acetamidocyclohexane-1-carboxylic acid
CID 14788214
4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-Methylaminocyclohexane-1-carboxylic acid
CID 24197306
4-(3,3,3-Trifluoropropylamino)cyclohexane-1-carboxylic acid
CID 64566527
4-(2-Fluoroethylamino)cyclohexane-1-carboxylic acid
CID 80695255
4-(3-Fluoropropylamino)cyclohexane-1-carboxylic acid
CID 81114237
4,4'-Iminodicyclohexanecarboxylic acid
CID 90478385
4-(4,4,4-Trifluorobutylamino)cyclohexane-1-carboxylic acid
CID 113326565
4-(6,6,6-Trifluorohexan-2-ylamino)cyclohexane-1-carboxylic acid
CID 116536174
4-(2-Methylpropylamino)cyclohexane-1-carboxylic acid
CID 9899122
4-(Propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 9964276

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid (CID 60810362) is 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid is C=C(C)CNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid?
The InChIKey is WFKUKIGYXLWIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(2)7-12-10-5-3-9(4-6-10)11(13)14/h9-10,12H,1,3-7H2,2H3,(H,13,14).
What are the key properties of 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid?
4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic 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 4-(2-methylprop-2-enylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60810362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).