methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate

C11H18N2O2 — CID 112713844

IUPACmethyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)cc(C(C)CN)n1C
InChIInChI=1S/C11H18N2O2/c1-7-5-9(8(2)6-12)13(3)10(7)11(14)15-4/h5,8H,6,12H2,1-4H3
InChIKeyVSLNPJRGHQTSMA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.18
Rot. Bonds3

About methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate

methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate (PubChem CID 112713844) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate
PubChem CID112713844
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate
SMILESCOC(=O)c1c(C)cc(C(C)CN)n1C
InChIInChI=1S/C11H18N2O2/c1-7-5-9(8(2)6-12)13(3)10(7)11(14)15-4/h5,8H,6,12H2,1-4H3
InChIKeyVSLNPJRGHQTSMA-UHFFFAOYSA-N
XLogP1.18
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxycarbonyl-1,3-dimethylpyrrole-2-carboxylic acid
CID 13179844
methyl 5-chlorosulfonyl-1,3-dimethylpyrrole-2-carboxylate
CID 83825436
methyl 1-(2-hydroxyethyl)-3,5-dimethylpyrrole-2-carboxylate
CID 112709807
ethane;ethyl 1,3,5-trimethylpyrrole-2-carboxylate
CID 155705747
methyl 3-(1-aminopropan-2-yl)benzoate
CID 69047814
methyl 3,5-dimethyl-1-(2-oxopropyl)pyrrole-2-carboxylate
CID 112710159
methyl 4-(1-aminopropan-2-yl)-1,3-thiazole-5-carboxylate
CID 170432075
methyl 3-amino-1,6-dimethylindole-2-carboxylate
CID 4777734
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 3-(4-aminobutan-2-yl)-4,5-dimethylbenzoate
CID 117342899
methyl 3-(5-amino-2-methylphenyl)butanoate
CID 84675386
methyl 4-methyl-3-(2-methylpropanoyl)benzoate
CID 83388725

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate?
The IUPAC name of methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate (CID 112713844) is methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate is COC(=O)c1c(C)cc(C(C)CN)n1C.
What is the InChIKey of methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate?
The InChIKey is VSLNPJRGHQTSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7-5-9(8(2)6-12)13(3)10(7)11(14)15-4/h5,8H,6,12H2,1-4H3.
What are the key properties of methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate?
methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminopropan-2-yl)-1,3-dimethylpyrrole-2-carboxylate is sourced from PubChem (CID 112713844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).