azane;dimethyl benzene-1,3-dicarboxylate;hydron

C10H14NO4+ — CID 175196363

IUPACazane;dimethyl benzene-1,3-dicarboxylate;hydron
SMILESCOC(=O)c1cccc(C(=O)OC)c1.N.[H+]
InChIInChI=1S/C10H10O4.H3N/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;1H3/p+1
InChIKeyRFZVWZCEYBYKHZ-UHFFFAOYSA-O
MW212.22 g/mol
LogP1.53
Rot. Bonds2

About azane;dimethyl benzene-1,3-dicarboxylate;hydron

azane;dimethyl benzene-1,3-dicarboxylate;hydron (PubChem CID 175196363) has the molecular formula C10H14NO4+ and a molecular weight of 212.22 g/mol. Its IUPAC name is azane;dimethyl benzene-1,3-dicarboxylate;hydron.

Molecular Properties

Compound Nameazane;dimethyl benzene-1,3-dicarboxylate;hydron
PubChem CID175196363
Molecular FormulaC10H14NO4+
Molecular Weight212.22 g/mol
Exact Mass212.09
IUPAC Nameazane;dimethyl benzene-1,3-dicarboxylate;hydron
SMILESCOC(=O)c1cccc(C(=O)OC)c1.N.[H+]
InChIInChI=1S/C10H10O4.H3N/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;1H3/p+1
InChIKeyRFZVWZCEYBYKHZ-UHFFFAOYSA-O
XLogP1.53
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 3-acetylbenzoate
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methyl 3-methoxycarbothioylbenzoate
CID 141161922
dimethyl benzene-1,3-dicarboxylate;2-methylprop-2-enoic acid
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methyl 3-fluorobenzoate
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[amino-(3-methoxycarbonylphenyl)methylidene]-hydroxyazanium
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methyl 3-(hydrazinecarbonyl)benzoate;hydrochloride
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2-(3-methoxycarbonylphenyl)prop-2-enoic acid
CID 57302552
methyl 3-(2-methylprop-2-enoyl)benzoate
CID 146011014
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CID 17175438

Frequently Asked Questions

What is the IUPAC name of azane;dimethyl benzene-1,3-dicarboxylate;hydron?
The IUPAC name of azane;dimethyl benzene-1,3-dicarboxylate;hydron (CID 175196363) is azane;dimethyl benzene-1,3-dicarboxylate;hydron.
What is the SMILES notation for azane;dimethyl benzene-1,3-dicarboxylate;hydron?
The canonical SMILES for azane;dimethyl benzene-1,3-dicarboxylate;hydron is COC(=O)c1cccc(C(=O)OC)c1.N.[H+].
What is the InChIKey of azane;dimethyl benzene-1,3-dicarboxylate;hydron?
The InChIKey is RFZVWZCEYBYKHZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H10O4.H3N/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2;/h3-6H,1-2H3;1H3/p+1.
What are the key properties of azane;dimethyl benzene-1,3-dicarboxylate;hydron?
azane;dimethyl benzene-1,3-dicarboxylate;hydron has a molecular weight of 212.22 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;dimethyl benzene-1,3-dicarboxylate;hydron is sourced from PubChem (CID 175196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).