4-(dimethylcarbamoyloxymethyl)benzoic acid

C11H13NO4 — CID 175337279

IUPAC4-(dimethylcarbamoyloxymethyl)benzoic acid
SMILESCN(C)C(=O)OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-12(2)11(15)16-7-8-3-5-9(6-4-8)10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeySHEWZHBQAPURJQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.58
Rot. Bonds3

About 4-(dimethylcarbamoyloxymethyl)benzoic acid

4-(dimethylcarbamoyloxymethyl)benzoic acid (PubChem CID 175337279) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-(dimethylcarbamoyloxymethyl)benzoic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoyloxymethyl)benzoic acid
PubChem CID175337279
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name4-(dimethylcarbamoyloxymethyl)benzoic acid
SMILESCN(C)C(=O)OCc1ccc(C(=O)O)cc1
InChIInChI=1S/C11H13NO4/c1-12(2)11(15)16-7-8-3-5-9(6-4-8)10(13)14/h3-6H,7H2,1-2H3,(H,13,14)
InChIKeySHEWZHBQAPURJQ-UHFFFAOYSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457
4-[(2-iodo-2-methylpropanoyl)oxymethyl]benzoic acid
CID 154609660
4-[2-[[2-[methyl(phenylmethoxycarbonyl)amino]acetyl]amino]ethyl]benzoic acid
CID 174478918
4-(2-methylbutanoyloxymethyl)benzoic acid
CID 59266761
4-[(2-methylpropan-2-yl)oxymethyl]benzoic acid
CID 4694749
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
[methyl(phenylmethoxycarbonyl)amino]methyl benzoate
CID 143845150
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
4-[4-(hydroperoxymethyl)phenyl]benzoic acid
CID 23562064
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoyloxymethyl)benzoic acid?
The IUPAC name of 4-(dimethylcarbamoyloxymethyl)benzoic acid (CID 175337279) is 4-(dimethylcarbamoyloxymethyl)benzoic acid.
What is the SMILES notation for 4-(dimethylcarbamoyloxymethyl)benzoic acid?
The canonical SMILES for 4-(dimethylcarbamoyloxymethyl)benzoic acid is CN(C)C(=O)OCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dimethylcarbamoyloxymethyl)benzoic acid?
The InChIKey is SHEWZHBQAPURJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-12(2)11(15)16-7-8-3-5-9(6-4-8)10(13)14/h3-6H,7H2,1-2H3,(H,13,14).
What are the key properties of 4-(dimethylcarbamoyloxymethyl)benzoic acid?
4-(dimethylcarbamoyloxymethyl)benzoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyloxymethyl)benzoic acid is sourced from PubChem (CID 175337279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).