methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate

C15H19N3O2 — CID 83983606

IUPACmethyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H19N3O2/c1-18-8-11(4-13(16)15(19)20-2)12-3-9-6-17-7-10(9)5-14(12)18/h3,5,8,13,17H,4,6-7,16H2,1-2H3
InChIKeyHTHDLMDBLQOZJN-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.82
Rot. Bonds3

About methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate

methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate (PubChem CID 83983606) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate
PubChem CID83983606
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate
SMILESCOC(=O)C(N)Cc1cn(C)c2cc3c(cc12)CNC3
InChIInChI=1S/C15H19N3O2/c1-18-8-11(4-13(16)15(19)20-2)12-3-9-6-17-7-10(9)5-14(12)18/h3,5,8,13,17H,4,6-7,16H2,1-2H3
InChIKeyHTHDLMDBLQOZJN-UHFFFAOYSA-N
XLogP0.82
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate with MolForge

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Related Compounds

1-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-amine
CID 83983625
4-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)butan-2-one
CID 83983649
ethyl 1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indole-3-carboxylate
CID 83983597
methyl 2-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetate
CID 83983835
2-amino-3-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]propanoic acid
CID 83984029
3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
CID 83983863
2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83983983
propan-2-yl 2-amino-3-(1-methylindol-3-yl)propanoate
CID 146400957
tert-butyl N-[(1-propyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)methyl]carbamate
CID 83983745
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
methyl 2-amino-3-(2,4,5-trihydroxyphenyl)propanoate
CID 170883293
tert-butyl 3-(2-amino-3-methoxy-3-oxopropyl)indole-1-carboxylate
CID 11267120

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate?
The IUPAC name of methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate (CID 83983606) is methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate?
The canonical SMILES for methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate is COC(=O)C(N)Cc1cn(C)c2cc3c(cc12)CNC3.
What is the InChIKey of methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate?
The InChIKey is HTHDLMDBLQOZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-8-11(4-13(16)15(19)20-2)12-3-9-6-17-7-10(9)5-14(12)18/h3,5,8,13,17H,4,6-7,16H2,1-2H3.
What are the key properties of methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate?
methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate has a molecular weight of 273.34 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate is sourced from PubChem (CID 83983606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).