2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid

C11H19NO4 — CID 61171060

IUPAC2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCCCOCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-5-16-6-4-12-10(13)8-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyVZKNFUZVPUIMJO-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.64
Rot. Bonds8

About 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 61171060) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID61171060
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCCCOCCNC(=O)C1CC1C(=O)O
InChIInChI=1S/C11H19NO4/c1-2-3-5-16-6-4-12-10(13)8-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyVZKNFUZVPUIMJO-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.64
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

cis-(1S,2R)-2-[2-(2-amino-2-oxoethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106234746
2-[2-(2-hydroxyethoxy)ethylcarbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390553
2-(3-ethoxypropylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114390371
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
2-(3-dodecoxypropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 154136601
cis-(1R,3S)-3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319606
3-(2-butoxyethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66032046
2-[3-(2-methoxyethoxy)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974582
cis-(1R,2S)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583525
trans-(1R,2R)-2-(2-cyclopentyloxyethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 98583524
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
2-[3-(2-phenylethoxy)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181917

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 61171060) is 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid is CCCCOCCNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is VZKNFUZVPUIMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-2-3-5-16-6-4-12-10(13)8-7-9(8)11(14)15/h8-9H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 61171060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).