2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

C14H26N2O4 — CID 79272291

IUPAC2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O4/c1-10-4-5-12(8-11(10)2)15-14(19)16(6-7-20-3)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBNZOUROJDMHIRN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds6

About 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid

2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 79272291) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID79272291
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1
InChIInChI=1S/C14H26N2O4/c1-10-4-5-12(8-11(10)2)15-14(19)16(6-7-20-3)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyBNZOUROJDMHIRN-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
2-[cyclobutylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269687
2-[cycloheptylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271342
2-[(2,3-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272617
2-[2-methoxyethyl(oxan-3-ylcarbamoyl)amino]acetic acid
CID 79270376
2-[carboxymethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548922
3-[(3,4-dimethylcyclohexyl)carbamoyl-methylamino]propanoic acid
CID 64743332
2-[cyclopropylmethylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79269872
cis-(1R,3S)-3-[[2-methoxyethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319406
2-[ethyl-[(3-methylcyclopentyl)carbamoyl]amino]acetic acid
CID 114548741
N-(3,4-dimethylcyclohexyl)-2-(2-methoxyethoxy)acetamide
CID 113428949
2-[(4-ethylcyclohexyl)methylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79271258

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid (CID 79272291) is 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)NC1CCC(C)C(C)C1.
What is the InChIKey of 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is BNZOUROJDMHIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-4-5-12(8-11(10)2)15-14(19)16(6-7-20-3)9-13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid?
2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethylcyclohexyl)carbamoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 79272291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).