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

C14H16N2O4 — CID 99699840

IUPAC1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NCCNC(=O)C1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-11(10-4-2-1-3-5-10)15-8-9-16-12(18)14(6-7-14)13(19)20/h1-5H,6-9H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGEFWZTSBBBHSEP-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds6

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

1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 99699840) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID99699840
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(NCCNC(=O)C1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C14H16N2O4/c17-11(10-4-2-1-3-5-10)15-8-9-16-12(18)14(6-7-14)13(19)20/h1-5H,6-9H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyGEFWZTSBBBHSEP-UHFFFAOYSA-N
XLogP0.40
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(2-benzamidoethyl)-4-ethylbenzamide
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N-[2-(hydroxymethylamino)ethyl]benzamide
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N-[2-(cyclobutene-1-carbonylamino)ethyl]benzamide
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N-[3-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]propyl]benzamide
CID 56793387
1-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 97108739
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-[2-(1,3-dioxolan-2-yl)ethyl]benzamide
CID 14952151
N-[2-(1-acetylcyclopropyl)-2-oxoethyl]benzamide;tungsten
CID 58176248
1-(3-phenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
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2-benzamidoethyl(chloro)mercury
CID 70399484

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 99699840) is 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(NCCNC(=O)C1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is GEFWZTSBBBHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-11(10-4-2-1-3-5-10)15-8-9-16-12(18)14(6-7-14)13(19)20/h1-5H,6-9H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid?
1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzamidoethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99699840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).