methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate

C14H18N2O4 — CID 66636862

IUPACmethyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(CC(=O)OC)c2cccc(N)c21
InChIInChI=1S/C14H18N2O4/c1-19-12(17)6-9-7-16(8-13(18)20-2)11-5-3-4-10(15)14(9)11/h3-5,9H,6-8,15H2,1-2H3
InChIKeyIXIUBADNXNVZNQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.91
Rot. Bonds4

About methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate

methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate (PubChem CID 66636862) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
PubChem CID66636862
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(CC(=O)OC)c2cccc(N)c21
InChIInChI=1S/C14H18N2O4/c1-19-12(17)6-9-7-16(8-13(18)20-2)11-5-3-4-10(15)14(9)11/h3-5,9H,6-8,15H2,1-2H3
InChIKeyIXIUBADNXNVZNQ-UHFFFAOYSA-N
XLogP0.91
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate with MolForge

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Related Compounds

Methyl indoline-2-carboxylate
CID 2794655
methyl 2-(1-methyl-2-sulfanylidene-2,3-dihydro-1H-indol-3-yl)acetate
CID 5328538
methyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 7020378
(S)-Indoline-2-carboxylic acid ethyl ester
CID 11030625
Ethyl Indoline-2-carboxylate
CID 11949691
methyl 3-(2,3-dihydro-1H-indol-3-yl)propanoate;hydrochloride
CID 145966636
Methyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 11816349
methyl 2,3-dihydro-1H-indole-2-carboxylate hydrochloride
CID 18358071
tert-butyl (2S)-2,3-dihydro-1H-indole-2-carboxylate
CID 18632201
methyl 5-methyl-2,3-dihydro-1H-indole-2-carboxylate
CID 22451281
(S)-Ethyl indoline-2-carboxylate hydrochloride
CID 22822759
Methyl (R)-indoline-2-carboxylate hydrochloride
CID 70236830

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate (CID 66636862) is methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(CC(=O)OC)c2cccc(N)c21.
What is the InChIKey of methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate?
The InChIKey is IXIUBADNXNVZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-12(17)6-9-7-16(8-13(18)20-2)11-5-3-4-10(15)14(9)11/h3-5,9H,6-8,15H2,1-2H3.
What are the key properties of methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate?
methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-amino-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 66636862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).