1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

C11H18N2O4 — CID 62095713

IUPAC1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C11H18N2O4/c14-9(11(1-2-11)10(15)16)12-3-4-13-5-7-17-8-6-13/h1-8H2,(H,12,14)(H,15,16)
InChIKeyIICFKLCENAFOTM-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.70
Rot. Bonds5

About 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 62095713) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID62095713
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)NCCN2CCOCC2)CC1
InChIInChI=1S/C11H18N2O4/c14-9(11(1-2-11)10(15)16)12-3-4-13-5-7-17-8-6-13/h1-8H2,(H,12,14)(H,15,16)
InChIKeyIICFKLCENAFOTM-UHFFFAOYSA-N
XLogP-0.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
N-(2-morpholin-4-ylethyl)adamantane-1-carboxamide
CID 2862149
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973603
1-amino-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 64548791
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-morpholin-4-ylethyl)cyclopropane-1-carboxamide
CID 108973602

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 62095713) is 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C(=O)NCCN2CCOCC2)CC1.
What is the InChIKey of 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is IICFKLCENAFOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(11(1-2-11)10(15)16)12-3-4-13-5-7-17-8-6-13/h1-8H2,(H,12,14)(H,15,16).
What are the key properties of 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).