methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate

C16H18N2O3 — CID 61031076

IUPACmethyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O3/c1-17(12-9-15(19)21-2)16(20)13-5-7-14(8-6-13)18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3
InChIKeyPOOVVLOGFUOUMY-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.11
Rot. Bonds5

About methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate

methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate (PubChem CID 61031076) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
PubChem CID61031076
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C16H18N2O3/c1-17(12-9-15(19)21-2)16(20)13-5-7-14(8-6-13)18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3
InChIKeyPOOVVLOGFUOUMY-UHFFFAOYSA-N
XLogP2.11
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(4-methoxybenzoyl)-methylamino]propanoate
CID 54980118
N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
methyl 3-[[4-(difluoromethoxy)benzoyl]-methylamino]propanoate
CID 61032347
methyl 3-[methyl-(4-prop-2-enoxybenzoyl)amino]propanoate
CID 61031962
methyl 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoate
CID 54980402
N-(3-amino-3-oxopropyl)-N-methyl-3-pyrrol-1-ylbenzamide
CID 146087449
methyl 3-[methyl-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]propanoate
CID 61242474
methyl 3-[(3-chloro-4-methylbenzoyl)-methylamino]propanoate
CID 63195175
methyl 3-[(3-fluoro-4-methylbenzoyl)-methylamino]propanoate
CID 54979810
methyl 3-[(4-chloro-3-methylbenzoyl)-methylamino]propanoate
CID 112699249
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate (CID 61031076) is methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate?
The InChIKey is POOVVLOGFUOUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-17(12-9-15(19)21-2)16(20)13-5-7-14(8-6-13)18-10-3-4-11-18/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate?
methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate has a molecular weight of 286.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(4-pyrrol-1-ylbenzoyl)amino]propanoate is sourced from PubChem (CID 61031076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).