1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid

C13H14N2O5 — CID 80566850

IUPAC1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C13H14N2O5/c1-20-13(19)14-11(16)7-15-9-5-3-2-4-8(9)6-10(15)12(17)18/h2-5,10H,6-7H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyLVTVRGSIDQAHDU-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.38
Rot. Bonds3

About 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid

1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80566850) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID80566850
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCOC(=O)NC(=O)CN1c2ccccc2CC1C(=O)O
InChIInChI=1S/C13H14N2O5/c1-20-13(19)14-11(16)7-15-9-5-3-2-4-8(9)6-10(15)12(17)18/h2-5,10H,6-7H2,1H3,(H,17,18)(H,14,16,19)
InChIKeyLVTVRGSIDQAHDU-UHFFFAOYSA-N
XLogP0.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid 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

1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
methyl (2S)-1-(2-methoxy-2-oxoethyl)-2,3-dihydroindole-2-carboxylate
CID 100944786
1-[3-oxo-3-(propan-2-ylamino)propyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566903
1-(2-propoxyethyl)-2,3-dihydroindole-2-carboxylic acid
CID 106454785
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
N-(ethylcarbamoyl)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 8685970
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
1-(3-ethoxy-2-hydroxypropyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566995
1-[(1,3-dioxoisoindol-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
CID 130684080
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]acetamide
CID 25346939
N-cycloheptyl-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 22200030
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid (CID 80566850) is 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid is COC(=O)NC(=O)CN1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is LVTVRGSIDQAHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-20-13(19)14-11(16)7-15-9-5-3-2-4-8(9)6-10(15)12(17)18/h2-5,10H,6-7H2,1H3,(H,17,18)(H,14,16,19).
What are the key properties of 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid?
1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 278.26 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxycarbonylamino)-2-oxoethyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80566850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).