2-[ethyl-(2-methylcyclohexyl)amino]acetic acid

C11H21NO2 — CID 65063082

IUPAC2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-3-12(8-11(13)14)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySQUWVSCPBDKRFZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid

2-[ethyl-(2-methylcyclohexyl)amino]acetic acid (PubChem CID 65063082) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
PubChem CID65063082
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
SMILESCCN(CC(=O)O)C1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-3-12(8-11(13)14)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeySQUWVSCPBDKRFZ-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

trans-(1R,2R)-N,N-diethyl-2-methylcyclohexan-1-amine
CID 15852265
2-[(2-methylcyclopentyl)-(2-methylpropyl)amino]acetic acid
CID 65064207
2-[carboxymethyl-[2-[2,2-dimethylpropyl(ethyl)amino]cyclohexyl]amino]acetic acid
CID 58038728
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid;hydrate
CID 2723844
2-[ethyl-[(1S,2S)-2-methylcyclohexyl]amino]ethanol
CID 129411602
2-[ethyl-(2-methylcyclohexyl)amino]ethanol
CID 89249208
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2-methylcyclohexyl)amino]acetate
CID 171623835
3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
CID 82326771
2-[[2-[carboxymethyl-[2-[carboxymethyl(2-hydroperoxyethyl)amino]cyclohexyl]amino]cyclohexyl]-ethylamino]acetic acid
CID 54265097
2-[ethyl-[1-(2-methylcyclohexanecarbonyl)piperidin-4-yl]amino]acetic acid
CID 122126135
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
4-[ethyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071089

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid (CID 65063082) is 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid is CCN(CC(=O)O)C1CCCCC1C.
What is the InChIKey of 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid?
The InChIKey is SQUWVSCPBDKRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12(8-11(13)14)10-7-5-4-6-9(10)2/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[ethyl-(2-methylcyclohexyl)amino]acetic acid?
2-[ethyl-(2-methylcyclohexyl)amino]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-[ethyl-(2-methylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65063082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).