1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid

C10H17NO3 — CID 62097273

IUPAC1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-3-11(4-2)8(12)10(9(13)14)6-5-7-10/h3-7H2,1-2H3,(H,13,14)
InChIKeyIHKNWEWAXKPLRL-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds4

About 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62097273) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62097273
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCN(CC)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO3/c1-3-11(4-2)8(12)10(9(13)14)6-5-7-10/h3-7H2,1-2H3,(H,13,14)
InChIKeyIHKNWEWAXKPLRL-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[butyl(ethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62097468
1-[ethyl(2-methylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79470788
1-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096473
1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096447
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097169
1-[methyl(pentan-2-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62095900
cyclobutane-1,1-dicarboxylic acid;ethoxyethane
CID 174756320
1-[tert-butyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 115183835
CID 69418768
CID 69418768
1-[1-cyanopropan-2-yl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63228539
1-[2-cyanoethyl(2-methoxyethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 63286611
1-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 63859022

Frequently Asked Questions

What is the IUPAC name of 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62097273) is 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid is CCN(CC)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is IHKNWEWAXKPLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-11(4-2)8(12)10(9(13)14)6-5-7-10/h3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62097273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).