1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

C11H18N2O4 — CID 55035123

IUPAC1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H18N2O4/c1-3-12-8(14)7(2)13-9(15)11(10(16)17)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyLYASZATWOTWGLJ-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.12
Rot. Bonds5

About 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid

1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55035123) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55035123
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCNC(=O)C(C)NC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C11H18N2O4/c1-3-12-8(14)7(2)13-9(15)11(10(16)17)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyLYASZATWOTWGLJ-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 113408093
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62095418
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563
1-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312463
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethylpropanamide
CID 64616764
1-[4-(dimethylamino)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62096094
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-1-(4-methylphenyl)sulfonylcyclobutane-1-carboxamide
CID 95140166
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113408761

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid (CID 55035123) is 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is CCNC(=O)C(C)NC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is LYASZATWOTWGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-12-8(14)7(2)13-9(15)11(10(16)17)5-4-6-11/h7H,3-6H2,1-2H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid?
1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55035123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).