methyl 3-carbamoyloxybenzoate

C9H9NO4 — CID 795113

IUPACmethyl 3-carbamoyloxybenzoate
SMILESCOC(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C9H9NO4/c1-13-8(11)6-3-2-4-7(5-6)14-9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyOLAROKCBKVJCHU-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.93
Rot. Bonds2

About methyl 3-carbamoyloxybenzoate

methyl 3-carbamoyloxybenzoate (PubChem CID 795113) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is methyl 3-carbamoyloxybenzoate.

Molecular Properties

Compound Namemethyl 3-carbamoyloxybenzoate
PubChem CID795113
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Namemethyl 3-carbamoyloxybenzoate
SMILESCOC(=O)c1cccc(OC(N)=O)c1
InChIInChI=1S/C9H9NO4/c1-13-8(11)6-3-2-4-7(5-6)14-9(10)12/h2-5H,1H3,(H2,10,12)
InChIKeyOLAROKCBKVJCHU-UHFFFAOYSA-N
XLogP0.93
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 3-(4-tert-butylbenzoyl)oxybenzoate
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methyl 3-ethoxybenzoate
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(3-methoxycarbonylphenyl) 3,4,5-trimethoxybenzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-carbamoyloxybenzoate?
The IUPAC name of methyl 3-carbamoyloxybenzoate (CID 795113) is methyl 3-carbamoyloxybenzoate.
What is the SMILES notation for methyl 3-carbamoyloxybenzoate?
The canonical SMILES for methyl 3-carbamoyloxybenzoate is COC(=O)c1cccc(OC(N)=O)c1.
What is the InChIKey of methyl 3-carbamoyloxybenzoate?
The InChIKey is OLAROKCBKVJCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-13-8(11)6-3-2-4-7(5-6)14-9(10)12/h2-5H,1H3,(H2,10,12).
What are the key properties of methyl 3-carbamoyloxybenzoate?
methyl 3-carbamoyloxybenzoate has a molecular weight of 195.17 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyloxybenzoate is sourced from PubChem (CID 795113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).