3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid

C13H17NO5 — CID 134087382

IUPAC3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(NC(=O)OCC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-13(2,11(15)16)8-19-12(17)14-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyAEJMZRSGCJLYAH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.35
Rot. Bonds5

About 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid

3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid (PubChem CID 134087382) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid
PubChem CID134087382
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid
SMILESCOc1cccc(NC(=O)OCC(C)(C)C(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-13(2,11(15)16)8-19-12(17)14-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyAEJMZRSGCJLYAH-UHFFFAOYSA-N
XLogP2.35
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
2-[2-(3-methoxyanilino)-2-oxoethyl]sulfinyl-2-methylpropanoic acid
CID 81230078
(1-aminocyclopentyl)methyl N-(3-methoxyphenyl)carbamate
CID 79337035
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
2-(2-amino-2-methylbutoxy)-N-(3-methoxyphenyl)acetamide
CID 64571888
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N'-(3-methoxyphenyl)-N-(4-phenoxyphenyl)oxamide
CID 44999403
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid (CID 134087382) is 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid is COc1cccc(NC(=O)OCC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid?
The InChIKey is AEJMZRSGCJLYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-13(2,11(15)16)8-19-12(17)14-9-5-4-6-10(7-9)18-3/h4-7H,8H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid?
3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)carbamoyloxy]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 134087382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).