3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid

C13H16N2O3 — CID 76914230

IUPAC3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O3/c1-15(7-6-12(16)17)13(18)11-8-9-4-2-3-5-10(9)14-11/h2-5,11,14H,6-8H2,1H3,(H,16,17)
InChIKeyMMZLKWOVWCXRMP-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.96
Rot. Bonds4

About 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid

3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid (PubChem CID 76914230) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
PubChem CID76914230
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C13H16N2O3/c1-15(7-6-12(16)17)13(18)11-8-9-4-2-3-5-10(9)14-11/h2-5,11,14H,6-8H2,1H3,(H,16,17)
InChIKeyMMZLKWOVWCXRMP-UHFFFAOYSA-N
XLogP0.96
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic 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

N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
N-methyl-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659062
N-methyl-N-(2-methylsulfonylethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567418
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
N-cyclopropyl-N-propyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893036
(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155770
(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61162686
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 64517494

Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid (CID 76914230) is 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)C1Cc2ccccc2N1.
What is the InChIKey of 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid?
The InChIKey is MMZLKWOVWCXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-15(7-6-12(16)17)13(18)11-8-9-4-2-3-5-10(9)14-11/h2-5,11,14H,6-8H2,1H3,(H,16,17).
What are the key properties of 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid?
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 76914230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).