2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid

C16H23NO2 — CID 61446146

IUPAC2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
SMILESCC1CCCC(N(C)C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-12-7-6-10-14(11-12)17(2)15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyXPNMUXHYLUGNOF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.32
Rot. Bonds4

About 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid

2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid (PubChem CID 61446146) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
PubChem CID61446146
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid
SMILESCC1CCCC(N(C)C(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H23NO2/c1-12-7-6-10-14(11-12)17(2)15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,18,19)
InChIKeyXPNMUXHYLUGNOF-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(thiolan-3-yl)amino]-2-phenylacetic acid
CID 43296865
2-methyl-3-[methyl-(3-methylcyclohexyl)amino]butanoic acid
CID 79407617
2-[methyl-(3-methylcyclohexyl)amino]-1-phenylethanone
CID 61446014
methyl 2-[cyclopropyl(methyl)amino]-2-phenylacetate
CID 116857387
2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 83040975
N-(3-methylcyclohexyl)-N-(1-phenylethyl)thiohydroxylamine
CID 144897282
2-hydroxy-1-(3-methylcyclohexyl)-2-phenylethanone
CID 103458039
(2R)-2-amino-N-(3-methylcyclohexyl)-2-phenylacetamide
CID 61156405
1-methyl-1-(3-methylcyclohexyl)-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112831555
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid (CID 61446146) is 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid is CC1CCCC(N(C)C(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid?
The InChIKey is XPNMUXHYLUGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-7-6-10-14(11-12)17(2)15(16(18)19)13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid?
2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid has a molecular weight of 261.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-methylcyclohexyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61446146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).