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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Related Compounds

methyl 3-(9H-acridin-10-yl)propanoate
CID 129155450
3-(5-amino-2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanamide
CID 114336013
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 63235622
3-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-carbamoylpropanamide
CID 63235838
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methyl 3-(1-methyl-2-oxo-3H-indol-3-yl)propanoate
CID 14956192
tert-butyl (3S)-3-(3-methoxy-3-oxopropyl)-2,3-dihydroindole-1-carboxylate
CID 102513493
(3R)-1-methyl-2,3-dihydroindol-3-amine
CID 175654020
2-[1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80578399
1-[3-(dimethylamino)-3-oxopropyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565332
methyl 3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoate
CID 28940061
methyl 2-[1-[(4-propan-2-ylphenyl)methyl]-2,3-dihydroindol-3-yl]acetate
CID 71032368

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).