2-[cyclohexyl(deuteriomethyl)amino]acetic acid

C9H17NO2 — CID 176582981

IUPAC2-[cyclohexyl(deuteriomethyl)amino]acetic acid
SMILES[2H]CN(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)/i1D
InChIKeyGLFNIJSJZLSPEH-MICDWDOJSA-N
MW172.25 g/mol
LogP1.34
Rot. Bonds4

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

2-[cyclohexyl(deuteriomethyl)amino]acetic acid (PubChem CID 176582981) has the molecular formula C9H17NO2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[cyclohexyl(deuteriomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohexyl(deuteriomethyl)amino]acetic acid
PubChem CID176582981
Molecular FormulaC9H17NO2
Molecular Weight172.25 g/mol
Exact Mass172.13
IUPAC Name2-[cyclohexyl(deuteriomethyl)amino]acetic acid
SMILES[2H]CN(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)/i1D
InChIKeyGLFNIJSJZLSPEH-MICDWDOJSA-N
XLogP1.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[methyl-(4-methylcyclohexyl)amino]acetic acid
CID 60712035
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-[(1-ethylazepan-4-yl)-methylamino]acetic acid
CID 65077241
2-[cyclohexyl(ethylsulfonyl)amino]acetic acid
CID 50849243
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[[2-[cyclohexyl(methyl)amino]acetyl]amino]acetic acid
CID 39258593
1-[cyclopentyl(methyl)amino]-3-methylbutan-2-one
CID 79395457
2-[tert-butyl(cyclopentyl)amino]acetic acid
CID 79268396
2-[cyclododecyl(propyl)amino]acetic acid
CID 65064979
2-[cyclohexyl-[(4-methylphenyl)methyl]amino]acetic acid
CID 39361490

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(deuteriomethyl)amino]acetic acid?
The IUPAC name of 2-[cyclohexyl(deuteriomethyl)amino]acetic acid (CID 176582981) is 2-[cyclohexyl(deuteriomethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohexyl(deuteriomethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclohexyl(deuteriomethyl)amino]acetic acid is [2H]CN(CC(=O)O)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(deuteriomethyl)amino]acetic acid?
The InChIKey is GLFNIJSJZLSPEH-MICDWDOJSA-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)/i1D.
What are the key properties of 2-[cyclohexyl(deuteriomethyl)amino]acetic acid?
2-[cyclohexyl(deuteriomethyl)amino]acetic acid has a molecular weight of 172.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(deuteriomethyl)amino]acetic acid is sourced from PubChem (CID 176582981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).