methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate

C12H16N2O2 — CID 114456156

IUPACmethyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
SMILESCOC(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C12H16N2O2/c1-16-11(15)6-8-14-7-5-9-3-2-4-10(13)12(9)14/h2-4H,5-8,13H2,1H3
InChIKeyNOCKWXDUITYESG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.19
Rot. Bonds3

About methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate

methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate (PubChem CID 114456156) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
PubChem CID114456156
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
SMILESCOC(=O)CCN1CCc2cccc(N)c21
InChIInChI=1S/C12H16N2O2/c1-16-11(15)6-8-14-7-5-9-3-2-4-10(13)12(9)14/h2-4H,5-8,13H2,1H3
InChIKeyNOCKWXDUITYESG-UHFFFAOYSA-N
XLogP1.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(7-amino-2,3-dihydroindol-1-yl)propanoic acid
CID 114456211
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
1-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-7-amine
CID 114456237
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
CID 114456417
1-nonyl-2,3-dihydroindol-7-amine
CID 114456337
6-(7-amino-2,3-dihydroindol-1-yl)hexan-1-ol
CID 107705678
1-(2-ethylsulfonylethyl)-2,3-dihydroindol-7-amine
CID 114456285
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoic acid
CID 114456468
ethyl 3-(7-amino-2,3-dihydroindol-1-yl)-2-methylpropanoate
CID 114456149
methyl 4-(5-amino-2,3-dihydro-1,4-benzoxazin-4-yl)butanoate
CID 82345571

Frequently Asked Questions

What is the IUPAC name of methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate?
The IUPAC name of methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate (CID 114456156) is methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate?
The canonical SMILES for methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate is COC(=O)CCN1CCc2cccc(N)c21.
What is the InChIKey of methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate?
The InChIKey is NOCKWXDUITYESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11(15)6-8-14-7-5-9-3-2-4-10(13)12(9)14/h2-4H,5-8,13H2,1H3.
What are the key properties of methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate?
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate has a molecular weight of 220.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate is sourced from PubChem (CID 114456156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).