methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

C10H16N2O2 — CID 55254534

IUPACmethyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C)c1CCN
InChIInChI=1S/C10H16N2O2/c1-6-8(4-5-11)9(7(2)12-6)10(13)14-3/h12H,4-5,11H2,1-3H3
InChIKeyCUNMLJRHZHXVQD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.92
Rot. Bonds3

About methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate

methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 55254534) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
PubChem CID55254534
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate
SMILESCOC(=O)c1c(C)[nH]c(C)c1CCN
InChIInChI=1S/C10H16N2O2/c1-6-8(4-5-11)9(7(2)12-6)10(13)14-3/h12H,4-5,11H2,1-3H3
InChIKeyCUNMLJRHZHXVQD-UHFFFAOYSA-N
XLogP0.92
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2-aminoethyl)-7-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 71200688
methyl 2-methyl-5-(4-methylsulfonylpiperazine-1-carbonyl)-4-propyl-1H-pyrrole-3-carboxylate
CID 55822442
3-amino-3-(4-methoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)propanoic acid
CID 170872674
methyl 5-ethyl-4-hydroxy-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 58024646
ethyl 5-(2-aminoethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 170887754
2-[(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)methyl]propanedioic acid
CID 44718715
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11529435
ethyl 5-formyl-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 166060301
methyl 5-[4-(dimethylamino)piperidine-1-carbonyl]-2-methyl-4-propyl-1H-pyrrole-3-carboxylate
CID 60579760
methyl 2,4-dimethyl-5-[(2S)-2-methylsulfonylpropanoyl]-1H-pyrrole-3-carboxylate
CID 94199261
2-(2-methyl-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-3-yl)ethanamine
CID 84764960
2-O-(cyanomethyl) 4-O-methyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2660216

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The IUPAC name of methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate (CID 55254534) is methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is COC(=O)c1c(C)[nH]c(C)c1CCN.
What is the InChIKey of methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The InChIKey is CUNMLJRHZHXVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6-8(4-5-11)9(7(2)12-6)10(13)14-3/h12H,4-5,11H2,1-3H3.
What are the key properties of methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate?
methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminoethyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55254534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).