2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid

C12H21NO4 — CID 22298290

IUPAC2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESCCNCCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-2-13-7-8-17-12(16)10-6-4-3-5-9(10)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyHIPRBOWLSXCXQL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds6

About 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid

2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid (PubChem CID 22298290) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
PubChem CID22298290
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
SMILESCCNCCOC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C12H21NO4/c1-2-13-7-8-17-12(16)10-6-4-3-5-9(10)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyHIPRBOWLSXCXQL-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-[2-(2,2-dimethylbutanoylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 23541532
2-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983530
tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
bis(2-butoxycarbonylcyclohexane-1-carboxylic acid);bis(hydroxy(trimethyl)silane);titanium
CID 155635723
cis-(1R,2S)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903802
trans-(1R,2R)-2-[5-[(1R,2S)-2-carboxycyclohexanecarbonyl]oxypentanoyl]cyclohexane-1-carboxylic acid
CID 11903798
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
2-(19-methylicosoxycarbonyl)cyclohexane-1-carboxylic acid
CID 69473603
dipentyl cyclohexane-1,2-dicarboxylate
CID 54463206
2-(3-propyloctoxycarbonyl)cyclohexane-1-carboxylic acid
CID 141262598
hydron;2-(2-prop-2-enoyloxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 174724217

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid (CID 22298290) is 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid is CCNCCOC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
The InChIKey is HIPRBOWLSXCXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-13-7-8-17-12(16)10-6-4-3-5-9(10)11(14)15/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid?
2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethoxycarbonyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22298290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).