methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate

C10H15NO2 — CID 92670417

IUPACmethyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1c(C)ccc1C
InChIInChI=1S/C10H15NO2/c1-7-5-6-8(2)11(7)9(3)10(12)13-4/h5-6,9H,1-4H3/t9-/m1/s1
InChIKeyIARRQQPOSJITIU-SECBINFHSA-N
MW181.23 g/mol
LogP1.84
Rot. Bonds2

About methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate

methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate (PubChem CID 92670417) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
PubChem CID92670417
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Namemethyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate
SMILESCOC(=O)[C@@H](C)n1c(C)ccc1C
InChIInChI=1S/C10H15NO2/c1-7-5-6-8(2)11(7)9(3)10(12)13-4/h5-6,9H,1-4H3/t9-/m1/s1
InChIKeyIARRQQPOSJITIU-SECBINFHSA-N
XLogP1.84
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4R)-4-[1-[(2R)-1-methoxy-1-oxopropan-2-yl]-5-methylpyrrol-2-yl]-2-oxo-4-phenylbutanoate
CID 101357146
methyl (2S)-2-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]propanoate
CID 162910125
ethyl (2R)-2-(2,5-dimethylpyrrol-1-yl)-3-methylbutanoate
CID 97312210
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
[(2S)-2-(2,5-dimethylpyrrol-1-yl)propyl] acetate
CID 22812933
methyl 2-(2-sulfanylidene-3H-benzimidazol-1-yl)propanoate
CID 61499556
2-methoxyethyl 2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)propanoate
CID 82099431
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345286
methyl 2-(4,5-dimethylimidazol-1-yl)propanoate
CID 62350544
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
ethyl 2-[2-formyl-5-(methoxymethyl)pyrrol-1-yl]propanoate
CID 163166514
methyl 2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]propanoate
CID 115553192

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate?
The IUPAC name of methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate (CID 92670417) is methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate is COC(=O)[C@@H](C)n1c(C)ccc1C.
What is the InChIKey of methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate?
The InChIKey is IARRQQPOSJITIU-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-6-8(2)11(7)9(3)10(12)13-4/h5-6,9H,1-4H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate?
methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate has a molecular weight of 181.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2,5-dimethylpyrrol-1-yl)propanoate is sourced from PubChem (CID 92670417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).