2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid

C14H16N2O4 — CID 22309405

IUPAC2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
SMILESCOc1ccc2c(CC(NC(C)=O)C(=O)O)c[nH]c2c1
InChIInChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-6-10(20-2)3-4-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMZMKEFNVSOYDFG-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.31
Rot. Bonds5

About 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid

2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid (PubChem CID 22309405) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
PubChem CID22309405
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid
SMILESCOc1ccc2c(CC(NC(C)=O)C(=O)O)c[nH]c2c1
InChIInChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-6-10(20-2)3-4-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyMZMKEFNVSOYDFG-UHFFFAOYSA-N
XLogP1.31
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-acetamido-3-(6-methoxy-1H-indol-3-yl)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

2-acetamido-3-(6-amino-1H-indol-3-yl)propanoic acid
CID 166609016
(2S)-2-acetamido-N-ethyl-3-(5-methoxy-1H-indol-3-yl)propanamide
CID 102169963
(2R)-3-(5-methoxy-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 54263574
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
2-acetamido-3-(5-bromo-6-chloro-1H-indol-3-yl)propanoic acid
CID 166609238
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
2-acetamido-3-(1H-indol-3-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 4919452
methyl (2R)-2-(methoxycarbonylamino)-3-(5-methoxy-1H-indol-3-yl)propanoate
CID 59079811
(2S)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)carbamothioylamino]propanoic acid
CID 139069173
(2S)-2-[[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 40552419
2-[(3,4-dimethoxyphenyl)carbamoylamino]-3-(6-fluoro-1H-indol-3-yl)propanoic acid
CID 119037268
[2-(4-methoxyanilino)-2-oxoethyl] 2-acetamido-3-(1H-indol-3-yl)propanoate
CID 55325855

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid (CID 22309405) is 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid is COc1ccc2c(CC(NC(C)=O)C(=O)O)c[nH]c2c1.
What is the InChIKey of 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid?
The InChIKey is MZMKEFNVSOYDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(17)16-13(14(18)19)5-9-7-15-12-6-10(20-2)3-4-11(9)12/h3-4,6-7,13,15H,5H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid?
2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid has a molecular weight of 276.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6-methoxy-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 22309405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).