3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C10H17NO5 — CID 82707517

IUPAC3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO5/c1-10(2)6(7(10)9(13)14)8(12)11-16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWDKYPCDLCMDBP-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.04
Rot. Bonds6

About 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 82707517) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID82707517
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOCCONC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C10H17NO5/c1-10(2)6(7(10)9(13)14)8(12)11-16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyHWDKYPCDLCMDBP-UHFFFAOYSA-N
XLogP0.04
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.04
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 82707517) is 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is COCCONC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is HWDKYPCDLCMDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-10(2)6(7(10)9(13)14)8(12)11-16-5-4-15-3/h6-7H,4-5H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82707517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).