prop-2-enyl 2-(methoxycarbonylamino)benzoate

C12H13NO4 — CID 101058820

IUPACprop-2-enyl 2-(methoxycarbonylamino)benzoate
SMILESC=CCOC(=O)c1ccccc1NC(=O)OC
InChIInChI=1S/C12H13NO4/c1-3-8-17-11(14)9-6-4-5-7-10(9)13-12(15)16-2/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyCDJKESAIUAJVOH-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.21
Rot. Bonds4

About prop-2-enyl 2-(methoxycarbonylamino)benzoate

prop-2-enyl 2-(methoxycarbonylamino)benzoate (PubChem CID 101058820) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is prop-2-enyl 2-(methoxycarbonylamino)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(methoxycarbonylamino)benzoate
PubChem CID101058820
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Nameprop-2-enyl 2-(methoxycarbonylamino)benzoate
SMILESC=CCOC(=O)c1ccccc1NC(=O)OC
InChIInChI=1S/C12H13NO4/c1-3-8-17-11(14)9-6-4-5-7-10(9)13-12(15)16-2/h3-7H,1,8H2,2H3,(H,13,15)
InChIKeyCDJKESAIUAJVOH-UHFFFAOYSA-N
XLogP2.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) benzene-1,2-dicarboxylate
CID 8560
bis(prop-2-enyl) benzene-1,2-dicarboxylate;hydron
CID 174523101
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
bis(prop-2-enyl) benzene-1,2-dicarboxylate;formonitrile;urea
CID 174812366
2-oxoethyl 2-(methylamino)benzoate
CID 143044559
ethyl 2-[[3-oxo-3-(prop-2-enylamino)propanoyl]amino]benzoate
CID 108941345
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
sodium 2-prop-2-enoxycarbonylphenolate
CID 66916174
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
ethoxyethane;prop-2-enyl 2-hydroxybenzoate
CID 68931624
bis(prop-2-enyl) benzene-1,2-dicarboxylate;prop-2-enylbenzene
CID 70559251
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(methoxycarbonylamino)benzoate?
The IUPAC name of prop-2-enyl 2-(methoxycarbonylamino)benzoate (CID 101058820) is prop-2-enyl 2-(methoxycarbonylamino)benzoate.
What is the SMILES notation for prop-2-enyl 2-(methoxycarbonylamino)benzoate?
The canonical SMILES for prop-2-enyl 2-(methoxycarbonylamino)benzoate is C=CCOC(=O)c1ccccc1NC(=O)OC.
What is the InChIKey of prop-2-enyl 2-(methoxycarbonylamino)benzoate?
The InChIKey is CDJKESAIUAJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-3-8-17-11(14)9-6-4-5-7-10(9)13-12(15)16-2/h3-7H,1,8H2,2H3,(H,13,15).
What are the key properties of prop-2-enyl 2-(methoxycarbonylamino)benzoate?
prop-2-enyl 2-(methoxycarbonylamino)benzoate has a molecular weight of 235.24 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(methoxycarbonylamino)benzoate is sourced from PubChem (CID 101058820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).