3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid

C17H23N3O2 — CID 83983863

IUPAC3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
SMILESCCNC(Cc1cn(C)c2cc3c(cc12)CN(C)C3)C(=O)O
InChIInChI=1S/C17H23N3O2/c1-4-18-15(17(21)22)6-13-10-20(3)16-7-12-9-19(2)8-11(12)5-14(13)16/h5,7,10,15,18H,4,6,8-9H2,1-3H3,(H,21,22)
InChIKeyUKUBQMCCICHATB-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.73
Rot. Bonds5

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

3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid (PubChem CID 83983863) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid.

Molecular Properties

Compound Name3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
PubChem CID83983863
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid
SMILESCCNC(Cc1cn(C)c2cc3c(cc12)CN(C)C3)C(=O)O
InChIInChI=1S/C17H23N3O2/c1-4-18-15(17(21)22)6-13-10-20(3)16-7-12-9-19(2)8-11(12)5-14(13)16/h5,7,10,15,18H,4,6,8-9H2,1-3H3,(H,21,22)
InChIKeyUKUBQMCCICHATB-UHFFFAOYSA-N
XLogP1.73
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid with MolForge

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Related Compounds

2-(methylamino)-3-(1-methyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoic acid
CID 83983983
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
1-[6-(2-ethoxyethyl)-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl]-N-ethylpropan-2-amine
CID 112540856
3-(1-ethyl-2,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(methylamino)propanoic acid
CID 83984295
2-(methylamino)-3-(1-methyl-5-methylsulfonylindol-3-yl)propanoic acid
CID 83985062
(2R)-2-(methylamino)-3-(1-methylindol-3-yl)propanoic acid
CID 71052009
(2R)-2-(chloroamino)-3-(1-methylindol-3-yl)propanoic acid
CID 155104980
3-(2,6-dimethyl-1-propyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-methylpropanoic acid
CID 83984251
methyl 2-amino-3-(1-methyl-6,7-dihydro-5H-pyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983606
methyl 3-(6-ethyl-1-methyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)propanoate
CID 83983875
(2R)-2-[(2-aminoacetyl)amino]-3-(1-methylindol-3-yl)propanoic acid;hydrochloride
CID 126483330

Frequently Asked Questions

What is the IUPAC name of 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid?
The IUPAC name of 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid (CID 83983863) is 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid.
What is the SMILES notation for 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid?
The canonical SMILES for 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid is CCNC(Cc1cn(C)c2cc3c(cc12)CN(C)C3)C(=O)O.
What is the InChIKey of 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid?
The InChIKey is UKUBQMCCICHATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-18-15(17(21)22)6-13-10-20(3)16-7-12-9-19(2)8-11(12)5-14(13)16/h5,7,10,15,18H,4,6,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid?
3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid has a molecular weight of 301.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,6-dimethyl-5,7-dihydropyrrolo[3,4-f]indol-3-yl)-2-(ethylamino)propanoic acid is sourced from PubChem (CID 83983863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).