2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid

C14H26N2O4 — CID 102629028

IUPAC2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid
SMILESCC1C(N)CCC(C(=O)NCCOCC(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O4/c1-9-11(15)5-4-10(14(9,2)3)13(19)16-6-7-20-8-12(17)18/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHZFVAJZMDCGKHF-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.60
Rot. Bonds6

About 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid

2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid (PubChem CID 102629028) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid
PubChem CID102629028
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid
SMILESCC1C(N)CCC(C(=O)NCCOCC(=O)O)C1(C)C
InChIInChI=1S/C14H26N2O4/c1-9-11(15)5-4-10(14(9,2)3)13(19)16-6-7-20-8-12(17)18/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyHZFVAJZMDCGKHF-UHFFFAOYSA-N
XLogP0.60
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]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

4-amino-N-[2-(dimethylamino)ethyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628173
4-amino-2,2,3-trimethyl-N-pentylcyclohexane-1-carboxamide
CID 102628205
4-amino-N-(5-amino-5-oxopentyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 106236108
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
4-amino-N-(2-cyclohexylethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628489
4-amino-N-(3-cyanopropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628781
4-amino-N-[4-(dimethylamino)butyl]-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628742
4-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 102628753
4-amino-N-(cyanomethyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628656
4-amino-2,2,3-trimethyl-N-(3-methylsulfanylbutyl)cyclohexane-1-carboxamide
CID 102629260
4-amino-N-(2-hydroxy-2-methylpropyl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628945
2-[[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]methyl]-3-methylbutanoic acid
CID 102628950

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid (CID 102629028) is 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid is CC1C(N)CCC(C(=O)NCCOCC(=O)O)C1(C)C.
What is the InChIKey of 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The InChIKey is HZFVAJZMDCGKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9-11(15)5-4-10(14(9,2)3)13(19)16-6-7-20-8-12(17)18/h9-11H,4-8,15H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 102629028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).