methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate

C17H20N2O3 — CID 11197348

IUPACmethyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC(C)=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(20)18-17(2,16(21)22-3)15-10-7-11-19(15)12-14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyXSXYGXCFOUMVRT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.06
Rot. Bonds5

About methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate

methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate (PubChem CID 11197348) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate
PubChem CID11197348
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC(C)=O)c1cccn1Cc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13(20)18-17(2,16(21)22-3)15-10-7-11-19(15)12-14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H,18,20)
InChIKeyXSXYGXCFOUMVRT-UHFFFAOYSA-N
XLogP2.06
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6-carboxylate
CID 71681879
2-acetamido-N-benzyl-2-(1-methylpyrrol-2-yl)acetamide
CID 14212837
Ethyl 2-({[(1-benzyl-1H-pyrrol-2-YL)methyl]carbamoyl}amino)acetate
CID 20951031
4-[2-(Benzylcarbamoyl)pyrrol-1-yl]butyl acetate
CID 177375503
Propionic acid, 3,3,3-trifluoro-2-(1-methyl-1H-pyrrol-2-yl)-2-(2,2,2-trifluoroacetylamino)-, methyl ester
CID 3419081
ethyl 2-(2-phenyl-2-(1H-pyrrol-1-yl)acetamido)acetate
CID 49669851
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)-1H-pyrrol-2-yl]acetamide
CID 53147988
N-Tert-butyl-2-[1-(4-methylphenyl)-1H-pyrrol-2-YL]acetamide
CID 53147991
Methyl 2-(methoxycarbonylamino)-2-(1-methylpyrrol-2-yl)acetate
CID 73121047
Methyl 2-(1-butyl-4-phenylpyrrol-2-yl)hexanoate
CID 135007652
Methyl 2-phenyl-2-pyrrol-1-ylacetate
CID 275136
Methyl 1-(picolinamido)cyclohexane-1-carboxylate
CID 32468462

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate?
The IUPAC name of methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate (CID 11197348) is methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate is COC(=O)C(C)(NC(C)=O)c1cccn1Cc1ccccc1.
What is the InChIKey of methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate?
The InChIKey is XSXYGXCFOUMVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13(20)18-17(2,16(21)22-3)15-10-7-11-19(15)12-14-8-5-4-6-9-14/h4-11H,12H2,1-3H3,(H,18,20).
What are the key properties of methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate?
methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate has a molecular weight of 300.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate is sourced from PubChem (CID 11197348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).