methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate

C10H14N2O3 — CID 101110537

IUPACmethyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC(C)=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O3/c1-7(13)12-10(2,9(14)15-3)8-5-4-6-11-8/h4-6,11H,1-3H3,(H,12,13)
InChIKeyZCNJDISFIPBOTL-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.54
Rot. Bonds3

About methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate

methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate (PubChem CID 101110537) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate
PubChem CID101110537
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Namemethyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(NC(C)=O)c1ccc[nH]1
InChIInChI=1S/C10H14N2O3/c1-7(13)12-10(2,9(14)15-3)8-5-4-6-11-8/h4-6,11H,1-3H3,(H,12,13)
InChIKeyZCNJDISFIPBOTL-UHFFFAOYSA-N
XLogP0.54
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
CID 122392240
methyl 2-methyl-2-(1H-pyrrol-2-ylamino)propanoate
CID 115128260
methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
CID 91501243
methyl 4-[1,1-bis(1H-pyrrol-2-yl)ethyl]benzoate
CID 132540985
methyl 2-acetamido-2-(1-benzylpyrrol-2-yl)propanoate
CID 11197348
methyl (2R)-2-acetamido-2-(2,5-difluorophenyl)propanoate
CID 52873787
methyl (3S)-3-amino-2,2-dimethyl-3-(1H-pyrrol-2-yl)propanoate
CID 171240203
2-hydroxy-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115140296
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
CID 130971072
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 15384695
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
methyl 2-methyl-2-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 136988902

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate?
The IUPAC name of methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate (CID 101110537) is methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate?
The canonical SMILES for methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate is COC(=O)C(C)(NC(C)=O)c1ccc[nH]1.
What is the InChIKey of methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate?
The InChIKey is ZCNJDISFIPBOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(13)12-10(2,9(14)15-3)8-5-4-6-11-8/h4-6,11H,1-3H3,(H,12,13).
What are the key properties of methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate?
methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate has a molecular weight of 210.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-2-(1H-pyrrol-2-yl)propanoate is sourced from PubChem (CID 101110537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).