2-[cyclohexyl(methyl)amino]acetic acid

C9H17NO2 — CID 23221497

IUPAC2-[cyclohexyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyGLFNIJSJZLSPEH-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.34
Rot. Bonds3

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

2-[cyclohexyl(methyl)amino]acetic acid (PubChem CID 23221497) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]acetic acid
PubChem CID23221497
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[cyclohexyl(methyl)amino]acetic acid
SMILESCN(CC(=O)O)C1CCCCC1
InChIInChI=1S/C9H17NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12)
InChIKeyGLFNIJSJZLSPEH-UHFFFAOYSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
CID 10213
trans-1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid
CID 2723845
2-(Piperidin-1-yl)propanoic acid hydrochloride
CID 12455410
Cyclohexane-1,2-diamine-N,N,N',N'-tetraacetic acid monohydrate, trans-
CID 2723844
2-Piperidin-1-yl-propionic acid
CID 3152951
N-Dodecyl-N-methylglycine
CID 61426
2-(1-Azepanyl)propanoic acid
CID 5151590
2,5-Dimethyl-1-pyrrolidineacetic acid
CID 21332271
2-[Cyclopentyl(methyl)amino]acetic acid
CID 28064656
2,2',2'',2'''-(Cyclohexane-1,2-diyldinitrilo)tetraacetic acid--water (1/1)
CID 18674933
(2,6-Dimethyl-piperidin-1-yl)-acetic acid
CID 413180
n-(Cyclohexyl)iminodiacetic acid
CID 20147076

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl(methyl)amino]acetic acid (CID 23221497) is 2-[cyclohexyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]acetic acid is CN(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]acetic acid?
The InChIKey is GLFNIJSJZLSPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10(7-9(11)12)8-5-3-2-4-6-8/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 2-[cyclohexyl(methyl)amino]acetic acid?
2-[cyclohexyl(methyl)amino]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]acetic acid is sourced from PubChem (CID 23221497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).