2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid

C12H21NO4 — CID 106826363

IUPAC2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-12(5-3-2-4-6-12)11(16)13-7-8-17-9-10(14)15/h2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyIJZCLSSPPHSHQO-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid

2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid (PubChem CID 106826363) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
PubChem CID106826363
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCC(=O)O)CCCCC1
InChIInChI=1S/C12H21NO4/c1-12(5-3-2-4-6-12)11(16)13-7-8-17-9-10(14)15/h2-9H2,1H3,(H,13,16)(H,14,15)
InChIKeyIJZCLSSPPHSHQO-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
CID 165477386
1-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexane-1-carboxamide
CID 105060872
N-[2-(2-bromoethoxy)ethyl]-1-methylcyclopentane-1-carboxamide
CID 114309324
N-[2-(2-chloroethoxy)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106828991
N-[2-(dimethylamino)ethyl]-1-methylcyclopentane-1-carboxamide;ethane
CID 142896714
7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
N-(2-iodoethyl)-1-methylcyclohexane-1-carboxamide
CID 106829059
N-[3-(2-chloroethoxy)propyl]-1-methylcyclohexane-1-carboxamide
CID 106306814
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
N-(3-aminopropyl)-1-methylcyclohexane-1-carboxamide
CID 106825990
N-(2-cyanoethyl)-1-methylcyclohexane-1-carboxamide
CID 106827286
2-[2-[(4,4-dimethylazepane-1-carbonyl)amino]ethoxy]acetic acid
CID 79463859

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid (CID 106826363) is 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid is CC1(C(=O)NCCOCC(=O)O)CCCCC1.
What is the InChIKey of 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
The InChIKey is IJZCLSSPPHSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(5-3-2-4-6-12)11(16)13-7-8-17-9-10(14)15/h2-9H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid?
2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylcyclohexanecarbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 106826363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).