2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid

C11H21NO2 — CID 83618301

IUPAC2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCN(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-12(2)10-6-4-9(5-7-10)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGLOBSSTUHJPHQV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid

2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid (PubChem CID 83618301) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
PubChem CID83618301
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid
SMILESCCN(C)C1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H21NO2/c1-3-12(2)10-6-4-9(5-7-10)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyGLOBSSTUHJPHQV-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[cyclopropyl(methyl)amino]cyclohexyl]acetic acid
CID 83835069
2-[4-[ethyl(methyl)carbamoyl]cyclohexyl]acetic acid
CID 115150957
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
N-[4-[ethyl(methyl)amino]cyclohexyl]acetamide
CID 134516968
carbanide;N-ethyl-N-methylcyclobutanamine;tungsten(2+)
CID 170793114
3-[(4-ethylcyclohexyl)-methylamino]butanoic acid
CID 61449261
2-[[4-(diethylamino)cyclohexyl]methyl]prop-2-enoic acid
CID 57226715
2-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]acetic acid
CID 20710011
2-(4-tert-butylcyclohexyl)acetic acid
CID 4150736
4-[cyclopropylmethyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 138986360
2-[4-[cyclopropyl-[4-(1-fluoro-1-phosphanylpropan-2-yl)benzoyl]amino]cyclohexyl]acetic acid;fluoromethane
CID 143379483
2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749

Frequently Asked Questions

What is the IUPAC name of 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid (CID 83618301) is 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid is CCN(C)C1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid?
The InChIKey is GLOBSSTUHJPHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12(2)10-6-4-9(5-7-10)8-11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid?
2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[ethyl(methyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 83618301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).