2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid

C11H19NO5 — CID 82706757

IUPAC2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
SMILESCOCCONC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO5/c1-16-6-7-17-12-10(13)8-4-2-3-5-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyHXPUKPTZCKIVQX-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.57
Rot. Bonds6

About 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid

2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 82706757) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID82706757
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid
SMILESCOCCONC(=O)C1CCCCC1C(=O)O
InChIInChI=1S/C11H19NO5/c1-16-6-7-17-12-10(13)8-4-2-3-5-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyHXPUKPTZCKIVQX-UHFFFAOYSA-N
XLogP0.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)cyclohexanecarboxamide
CID 79675541
2-(1-methoxypropan-2-ylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977801
2-(2-methoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974198
cis-(1R,2S)-2-[2-[(1R,2R)-2-carboxycyclohexanecarbonyl]oxyethoxycarbonyl]cyclohexane-1-carboxylic acid
CID 7052272
2-[(2-ethoxy-2-oxoethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 4193724
N-(2-methoxyethoxy)-2,2-dimethylcyclopentane-1-carboxamide
CID 104918028
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
cis-(1R,2S)-2-(propan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 724026
cis-(1S,2R)-2-[[3-(2-methoxyethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 41385907
cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
cis-(1S,2R)-2-[3-methoxypropyl(methyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94912240
2-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 61403958

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid (CID 82706757) is 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid is COCCONC(=O)C1CCCCC1C(=O)O.
What is the InChIKey of 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is HXPUKPTZCKIVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-6-7-17-12-10(13)8-4-2-3-5-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid?
2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxycarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 82706757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).