2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid

C15H19N3O2 — CID 83983879

IUPAC2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
SMILESCCN1Cc2cc3c(C(N)C(=O)O)cn(C)c3cc2C1
InChIInChI=1S/C15H19N3O2/c1-3-18-6-9-4-11-12(14(16)15(19)20)8-17(2)13(11)5-10(9)7-18/h4-5,8,14H,3,6-7,16H2,1-2H3,(H,19,20)
InChIKeyMIIZEKZPQDNSHB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds3

About 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid

2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid (PubChem CID 83983879) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
PubChem CID83983879
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid
SMILESCCN1Cc2cc3c(C(N)C(=O)O)cn(C)c3cc2C1
InChIInChI=1S/C15H19N3O2/c1-3-18-6-9-4-11-12(14(16)15(19)20)8-17(2)13(11)5-10(9)7-18/h4-5,8,14H,3,6-7,16H2,1-2H3,(H,19,20)
InChIKeyMIIZEKZPQDNSHB-UHFFFAOYSA-N
XLogP1.60
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid (CID 83983879) is 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid is CCN1Cc2cc3c(C(N)C(=O)O)cn(C)c3cc2C1.
What is the InChIKey of 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid?
The InChIKey is MIIZEKZPQDNSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-18-6-9-4-11-12(14(16)15(19)20)8-17(2)13(11)5-10(9)7-18/h4-5,8,14H,3,6-7,16H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid?
2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid has a molecular weight of 273.34 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)acetic acid is sourced from PubChem (CID 83983879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).