2-[1-(dimethylamino)cycloheptyl]acetic acid

C11H21NO2 — CID 64526393

IUPAC2-[1-(dimethylamino)cycloheptyl]acetic acid
SMILESCN(C)C1(CC(=O)O)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-12(2)11(9-10(13)14)7-5-3-4-6-8-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyLGGRUWHTFWLJLA-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.12
Rot. Bonds3

About 2-[1-(dimethylamino)cycloheptyl]acetic acid

2-[1-(dimethylamino)cycloheptyl]acetic acid (PubChem CID 64526393) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[1-(dimethylamino)cycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)cycloheptyl]acetic acid
PubChem CID64526393
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[1-(dimethylamino)cycloheptyl]acetic acid
SMILESCN(C)C1(CC(=O)O)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-12(2)11(9-10(13)14)7-5-3-4-6-8-11/h3-9H2,1-2H3,(H,13,14)
InChIKeyLGGRUWHTFWLJLA-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]propan-2-one
CID 58143295
2-[1-[acetyl(methyl)amino]cyclohexyl]acetic acid
CID 65238588
2-[1-(dimethylamino)cyclohexyl]acetamide
CID 10845205
2-[1-[formyl(methyl)amino]cyclohexyl]acetic acid
CID 65242680
2-[1-[methyl(propanoyl)amino]cyclohexyl]acetic acid
CID 65242914
2-[4-tert-butyl-1-(dimethylamino)cycloheptyl]acetic acid
CID 65094580
2-[1-[(1-aminocyclohexanecarbonyl)-methylamino]cyclohexyl]acetic acid
CID 65240691
2-[1-[[(2S)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 65240598
2-[1-[(4,4-dimethylcyclohexyl)-methylamino]cyclohexyl]acetic acid
CID 65241075
2-[1-[tert-butylcarbamoyl(methyl)amino]cyclohexyl]acetic acid
CID 65242776
2-[1-[[(2R)-2-aminopropanoyl]-methylamino]cyclohexyl]acetic acid
CID 79005049
2-[1-[methyl-[2-(4-methylpiperazin-1-yl)ethyl]amino]cyclohexyl]acetic acid
CID 82888447

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)cycloheptyl]acetic acid?
The IUPAC name of 2-[1-(dimethylamino)cycloheptyl]acetic acid (CID 64526393) is 2-[1-(dimethylamino)cycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(dimethylamino)cycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(dimethylamino)cycloheptyl]acetic acid is CN(C)C1(CC(=O)O)CCCCCC1.
What is the InChIKey of 2-[1-(dimethylamino)cycloheptyl]acetic acid?
The InChIKey is LGGRUWHTFWLJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-12(2)11(9-10(13)14)7-5-3-4-6-8-11/h3-9H2,1-2H3,(H,13,14).
What are the key properties of 2-[1-(dimethylamino)cycloheptyl]acetic acid?
2-[1-(dimethylamino)cycloheptyl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)cycloheptyl]acetic acid is sourced from PubChem (CID 64526393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).