3-(ethylcarbamoylcarbamoyl)benzoic acid

C11H12N2O4 — CID 174419235

IUPAC3-(ethylcarbamoylcarbamoyl)benzoic acid
SMILESCCNC(=O)NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H12N2O4/c1-2-12-11(17)13-9(14)7-4-3-5-8(6-7)10(15)16/h3-6H,2H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyCLCCKHMYWMDWQQ-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.84
Rot. Bonds3

About 3-(ethylcarbamoylcarbamoyl)benzoic acid

3-(ethylcarbamoylcarbamoyl)benzoic acid (PubChem CID 174419235) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-(ethylcarbamoylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name3-(ethylcarbamoylcarbamoyl)benzoic acid
PubChem CID174419235
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-(ethylcarbamoylcarbamoyl)benzoic acid
SMILESCCNC(=O)NC(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H12N2O4/c1-2-12-11(17)13-9(14)7-4-3-5-8(6-7)10(15)16/h3-6H,2H2,1H3,(H,15,16)(H2,12,13,14,17)
InChIKeyCLCCKHMYWMDWQQ-UHFFFAOYSA-N
XLogP0.84
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)benzamide
CID 23273840
3-[(ethylcarbamoylamino)methyl]benzoic acid
CID 60895497
3-[[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl]amino]-N-methylbenzamide
CID 18086382
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
3-[(1-ethylcyclopropyl)methylcarbamoyl]benzoic acid
CID 113352929
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 139146863
CID 139146863
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
N-ethyl-3-hydroxybenzamide
CID 13175248
N-ethylbenzamide
CID 160772566

Frequently Asked Questions

What is the IUPAC name of 3-(ethylcarbamoylcarbamoyl)benzoic acid?
The IUPAC name of 3-(ethylcarbamoylcarbamoyl)benzoic acid (CID 174419235) is 3-(ethylcarbamoylcarbamoyl)benzoic acid.
What is the SMILES notation for 3-(ethylcarbamoylcarbamoyl)benzoic acid?
The canonical SMILES for 3-(ethylcarbamoylcarbamoyl)benzoic acid is CCNC(=O)NC(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(ethylcarbamoylcarbamoyl)benzoic acid?
The InChIKey is CLCCKHMYWMDWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-2-12-11(17)13-9(14)7-4-3-5-8(6-7)10(15)16/h3-6H,2H2,1H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-(ethylcarbamoylcarbamoyl)benzoic acid?
3-(ethylcarbamoylcarbamoyl)benzoic acid has a molecular weight of 236.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylcarbamoylcarbamoyl)benzoic acid is sourced from PubChem (CID 174419235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).