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

C12H16N2O2 — CID 70997252

IUPACmethyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-16-12(15)6-7-14-8-10(13)9-4-2-3-5-11(9)14/h2-5,10H,6-8,13H2,1H3
InChIKeyRVAFNIIXODMNDV-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.07
Rot. Bonds3

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

methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate (PubChem CID 70997252) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
PubChem CID70997252
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namemethyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate
SMILESCOC(=O)CCN1CC(N)c2ccccc21
InChIInChI=1S/C12H16N2O2/c1-16-12(15)6-7-14-8-10(13)9-4-2-3-5-11(9)14/h2-5,10H,6-8,13H2,1H3
InChIKeyRVAFNIIXODMNDV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate?
The IUPAC name of methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate (CID 70997252) is methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate.
What is the SMILES notation for methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate?
The canonical SMILES for methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate is COC(=O)CCN1CC(N)c2ccccc21.
What is the InChIKey of methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate?
The InChIKey is RVAFNIIXODMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-12(15)6-7-14-8-10(13)9-4-2-3-5-11(9)14/h2-5,10H,6-8,13H2,1H3.
What are the key properties of methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate?
methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate has a molecular weight of 220.27 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-2,3-dihydroindol-1-yl)propanoate is sourced from PubChem (CID 70997252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).