dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate

C16H17N3O5 — CID 11267539

IUPACdimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)c(C(=O)OC)n(N)c1C
InChIInChI=1S/C16H17N3O5/c1-9-11(15(21)23-2)12(13(19(9)17)16(22)24-3)18-14(20)10-7-5-4-6-8-10/h4-8H,17H2,1-3H3,(H,18,20)
InChIKeyHWKGONVOTUCLKN-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.34
Rot. Bonds4

About dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate

dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate (PubChem CID 11267539) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate
PubChem CID11267539
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC Namedimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccccc2)c(C(=O)OC)n(N)c1C
InChIInChI=1S/C16H17N3O5/c1-9-11(15(21)23-2)12(13(19(9)17)16(22)24-3)18-14(20)10-7-5-4-6-8-10/h4-8H,17H2,1-3H3,(H,18,20)
InChIKeyHWKGONVOTUCLKN-UHFFFAOYSA-N
XLogP1.34
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-benzamido-1-(methoxycarbonylamino)-2-methylpyrrole-3-carboxylate
CID 11244424
CID 157228504
CID 157228504
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
methyl 2-benzamido-5-benzoyl-4-methylthiophene-3-carboxylate
CID 982691
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
methyl benzoate;hydrate
CID 141218240
N-[4-(carbamothioylamino)-2-ethyl-6-methylphenyl]benzamide
CID 50881403
methyl 7-benzamido-2,4-dimethyl-1,3-dioxoisoindole-5-carboxylate
CID 57341599
methyl 2-benzamido-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4054281
methyl 2-amino-4-benzamidobenzoate
CID 23466425
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
ethane;methoxymethane;methyl benzoate
CID 90999424

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate?
The IUPAC name of dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate (CID 11267539) is dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate?
The canonical SMILES for dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate is COC(=O)c1c(NC(=O)c2ccccc2)c(C(=O)OC)n(N)c1C.
What is the InChIKey of dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate?
The InChIKey is HWKGONVOTUCLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-9-11(15(21)23-2)12(13(19(9)17)16(22)24-3)18-14(20)10-7-5-4-6-8-10/h4-8H,17H2,1-3H3,(H,18,20).
What are the key properties of dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate?
dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate has a molecular weight of 331.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-amino-3-benzamido-5-methylpyrrole-2,4-dicarboxylate is sourced from PubChem (CID 11267539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).