2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid

C18H25N3O2 — CID 83983983

IUPAC2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
SMILESCNC(Cc1cn(C)c2cc3c(cc12)CN(C(C)C)C3)C(=O)O
InChIInChI=1S/C18H25N3O2/c1-11(2)21-9-12-5-15-14(6-16(19-3)18(22)23)8-20(4)17(15)7-13(12)10-21/h5,7-8,11,16,19H,6,9-10H2,1-4H3,(H,22,23)
InChIKeyMAUIBBXNBWWBFJ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.12
Rot. Bonds5

About 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid

2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid (PubChem CID 83983983) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
PubChem CID83983983
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
SMILESCNC(Cc1cn(C)c2cc3c(cc12)CN(C(C)C)C3)C(=O)O
InChIInChI=1S/C18H25N3O2/c1-11(2)21-9-12-5-15-14(6-16(19-3)18(22)23)8-20(4)17(15)7-13(12)10-21/h5,7-8,11,16,19H,6,9-10H2,1-4H3,(H,22,23)
InChIKeyMAUIBBXNBWWBFJ-UHFFFAOYSA-N
XLogP2.12
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid?
The IUPAC name of 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid (CID 83983983) is 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid?
The canonical SMILES for 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid is CNC(Cc1cn(C)c2cc3c(cc12)CN(C(C)C)C3)C(=O)O.
What is the InChIKey of 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid?
The InChIKey is MAUIBBXNBWWBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-11(2)21-9-12-5-15-14(6-16(19-3)18(22)23)8-20(4)17(15)7-13(12)10-21/h5,7-8,11,16,19H,6,9-10H2,1-4H3,(H,22,23).
What are the key properties of 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid?
2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid has a molecular weight of 315.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid is sourced from PubChem (CID 83983983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).