methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate

C14H16N2O4 — CID 20768833

IUPACmethyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CC(N)C(=O)OC)c[nH]c2c1
InChIInChI=1S/C14H16N2O4/c1-19-13(17)8-3-4-10-9(7-16-12(10)6-8)5-11(15)14(18)20-2/h3-4,6-7,11,16H,5,15H2,1-2H3
InChIKeyTYZSVHCDIFDBNB-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.00
Rot. Bonds4

About methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate

methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate (PubChem CID 20768833) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
PubChem CID20768833
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(CC(N)C(=O)OC)c[nH]c2c1
InChIInChI=1S/C14H16N2O4/c1-19-13(17)8-3-4-10-9(7-16-12(10)6-8)5-11(15)14(18)20-2/h3-4,6-7,11,16H,5,15H2,1-2H3
InChIKeyTYZSVHCDIFDBNB-UHFFFAOYSA-N
XLogP1.00
TPSA94.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 2-amino-3-[6-(trifluoromethyl)-1H-indol-3-yl]propanoate
CID 166609475
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
methyl 2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoate
CID 14288547
methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
3-(2-aminopropyl)-1H-indole-6-carboxylic acid
CID 23071145
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 2-amino-3-[5-(2-methoxyethoxy)-1H-indol-3-yl]propanoate
CID 123770984
methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
CID 70303122
methyl (2S)-2-amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate
CID 90752337
methyl 3-(3-bromo-1,2-dihydroxypropyl)-1H-indole-6-carboxylate
CID 171861364

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate (CID 20768833) is methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(CC(N)C(=O)OC)c[nH]c2c1.
What is the InChIKey of methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate?
The InChIKey is TYZSVHCDIFDBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-13(17)8-3-4-10-9(7-16-12(10)6-8)5-11(15)14(18)20-2/h3-4,6-7,11,16H,5,15H2,1-2H3.
What are the key properties of methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate?
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate is sourced from PubChem (CID 20768833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).