2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid

C14H16N2O4 — CID 120523694

IUPAC2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCOc1cccc2[nH]cc(CC(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C14H16N2O4/c1-8(14(18)19)16-12(17)6-9-7-15-10-4-3-5-11(20-2)13(9)10/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUYGNGBDFJYZYRF-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.31
Rot. Bonds5

About 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid

2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid (PubChem CID 120523694) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
PubChem CID120523694
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
SMILESCOc1cccc2[nH]cc(CC(=O)NC(C)C(=O)O)c12
InChIInChI=1S/C14H16N2O4/c1-8(14(18)19)16-12(17)6-9-7-15-10-4-3-5-11(20-2)13(9)10/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyUYGNGBDFJYZYRF-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-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007526
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007760
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 120524391
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
1-(1-hydroxypropan-2-yl)-3-[2-(4-methoxy-1H-indol-3-yl)ethyl]urea
CID 110013288

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid (CID 120523694) is 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid is COc1cccc2[nH]cc(CC(=O)NC(C)C(=O)O)c12.
What is the InChIKey of 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is UYGNGBDFJYZYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(14(18)19)16-12(17)6-9-7-15-10-4-3-5-11(20-2)13(9)10/h3-5,7-8,15H,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid?
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]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-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 120523694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).