1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid

C11H20N2O3 — CID 62635571

IUPAC1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)CCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-3-13(2)8-7-12-9(14)11(10(15)16)5-4-6-11/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyULBZSUOZEBWEQA-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds6

About 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid

1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62635571) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62635571
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(C)CCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H20N2O3/c1-3-13(2)8-7-12-9(14)11(10(15)16)5-4-6-11/h3-8H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyULBZSUOZEBWEQA-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096609
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 62641943
1-[2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62642132
1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62096994
2-[1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79850980
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82764534
1-carbamothioyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 80592271
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55176607
N-[2-[ethyl(methyl)amino]ethyl]-4-propylpiperidine-4-carboxamide
CID 55176449
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid (CID 62635571) is 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid is CCN(C)CCNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is ULBZSUOZEBWEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-13(2)8-7-12-9(14)11(10(15)16)5-4-6-11/h3-8H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid?
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62635571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).