methyl 3-(carbamoylamino)benzoate

C9H10N2O3 — CID 2822841

IUPACmethyl 3-(carbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKeyCANIDQGAPAHUJM-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.96
Rot. Bonds2

About methyl 3-(carbamoylamino)benzoate

methyl 3-(carbamoylamino)benzoate (PubChem CID 2822841) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 3-(carbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-(carbamoylamino)benzoate
PubChem CID2822841
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl 3-(carbamoylamino)benzoate
SMILESCOC(=O)c1cccc(NC(N)=O)c1
InChIInChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13)
InChIKeyCANIDQGAPAHUJM-UHFFFAOYSA-N
XLogP0.96
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
CID 159558349
CID 159558349
methyl 3-hydrazinylbenzoate;hydrochloride
CID 23285088
(4-methylphenyl) 3-(carbamoylamino)benzoate
CID 47098186
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[(2,2-difluoroacetyl)amino]benzoate
CID 103600805
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
methyl 3-(2-bromopropanoylamino)benzoate
CID 52984160
methyl 3-[(3-amino-3-methylbutanoyl)amino]benzoate
CID 64679224
methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
cyclopentyl 3-(carbamoylamino)benzoate
CID 47128803

Frequently Asked Questions

What is the IUPAC name of methyl 3-(carbamoylamino)benzoate?
The IUPAC name of methyl 3-(carbamoylamino)benzoate (CID 2822841) is methyl 3-(carbamoylamino)benzoate.
What is the SMILES notation for methyl 3-(carbamoylamino)benzoate?
The canonical SMILES for methyl 3-(carbamoylamino)benzoate is COC(=O)c1cccc(NC(N)=O)c1.
What is the InChIKey of methyl 3-(carbamoylamino)benzoate?
The InChIKey is CANIDQGAPAHUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-8(12)6-3-2-4-7(5-6)11-9(10)13/h2-5H,1H3,(H3,10,11,13).
What are the key properties of methyl 3-(carbamoylamino)benzoate?
methyl 3-(carbamoylamino)benzoate has a molecular weight of 194.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(carbamoylamino)benzoate is sourced from PubChem (CID 2822841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).