methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate

C13H18N2O4 — CID 87422659

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NOC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-15-12(17)14-10-8-6-5-7-9(10)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyZMPQFOQCMSZILT-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.32
Rot. Bonds3

About methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate

methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate (PubChem CID 87422659) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
PubChem CID87422659
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)NOC(C)(C)C
InChIInChI=1S/C13H18N2O4/c1-13(2,3)19-15-12(17)14-10-8-6-5-7-9(10)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17)
InChIKeyZMPQFOQCMSZILT-UHFFFAOYSA-N
XLogP2.32
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
methyl 2-(2,2-dichloropropanoylamino)benzoate
CID 10660048
methyl 2-[(2-methyl-1-phenylpropan-2-yl)carbamoylamino]benzoate
CID 23963869
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 2-[(2-propan-2-ylphenyl)carbamoylamino]benzoate
CID 22301794
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[(3,4,5-trimethoxyphenyl)carbamoylamino]benzoate
CID 17374900
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429
methyl 2-(2,2-dimethylpropylamino)benzoate
CID 61325547
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate (CID 87422659) is methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate is COC(=O)c1ccccc1NC(=O)NOC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate?
The InChIKey is ZMPQFOQCMSZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)19-15-12(17)14-10-8-6-5-7-9(10)11(16)18-4/h5-8H,1-4H3,(H2,14,15,17).
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate?
methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate has a molecular weight of 266.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbamoylamino]benzoate is sourced from PubChem (CID 87422659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).