methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate

C15H17N3O3 — CID 61112066

IUPACmethyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
SMILESCCn1cc(N)cc1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H17N3O3/c1-3-18-9-11(16)8-13(18)14(19)17-12-6-4-5-10(7-12)15(20)21-2/h4-9H,3,16H2,1-2H3,(H,17,19)
InChIKeyIWJFGXBWVMONLZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.13
Rot. Bonds4

About methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate

methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate (PubChem CID 61112066) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
PubChem CID61112066
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate
SMILESCCn1cc(N)cc1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C15H17N3O3/c1-3-18-9-11(16)8-13(18)14(19)17-12-6-4-5-10(7-12)15(20)21-2/h4-9H,3,16H2,1-2H3,(H,17,19)
InChIKeyIWJFGXBWVMONLZ-UHFFFAOYSA-N
XLogP2.13
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-ethyl-N-(3-iodophenyl)pyrrole-2-carboxamide
CID 43643246
4-amino-N-(3-ethoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 61103176
4-amino-N-(3-chloro-4-methoxyphenyl)-1-ethylpyrrole-2-carboxamide
CID 43642694
methyl 3-[(2-hydroxyacetyl)amino]benzoate
CID 82113146
4-amino-N-(1-benzothiophen-5-yl)-1-ethylpyrrole-2-carboxamide
CID 65475007
methyl 3-(carbamoylamino)benzoate
CID 2822841
4-amino-1-ethyl-N-(2-sulfamoylphenyl)pyrrole-2-carboxamide
CID 61128385
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]benzoate
CID 61117355
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
methyl 4-amino-1-[2-(3-methylanilino)-2-oxoethyl]pyrrole-2-carboxylate
CID 61294227
4-amino-1-ethyl-N-[(3-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 61028915

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate (CID 61112066) is methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate is CCn1cc(N)cc1C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate?
The InChIKey is IWJFGXBWVMONLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-18-9-11(16)8-13(18)14(19)17-12-6-4-5-10(7-12)15(20)21-2/h4-9H,3,16H2,1-2H3,(H,17,19).
What are the key properties of methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate?
methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-1-ethylpyrrole-2-carbonyl)amino]benzoate is sourced from PubChem (CID 61112066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).