2-[3-(1H-indol-3-yl)propanoylamino]acetate

C13H13N2O3- — CID 7677841

IUPAC2-[3-(1H-indol-3-yl)propanoylamino]acetate
SMILESO=C([O-])CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7,14H,5-6,8H2,(H,15,16)(H,17,18)/p-1
InChIKeyWPZHLFMFBBIAFZ-UHFFFAOYSA-M
MW245.26 g/mol
LogP-0.03
Rot. Bonds5

About 2-[3-(1H-indol-3-yl)propanoylamino]acetate

2-[3-(1H-indol-3-yl)propanoylamino]acetate (PubChem CID 7677841) has the molecular formula C13H13N2O3- and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[3-(1H-indol-3-yl)propanoylamino]acetate.

Molecular Properties

Compound Name2-[3-(1H-indol-3-yl)propanoylamino]acetate
PubChem CID7677841
Molecular FormulaC13H13N2O3-
Molecular Weight245.26 g/mol
Exact Mass245.09
IUPAC Name2-[3-(1H-indol-3-yl)propanoylamino]acetate
SMILESO=C([O-])CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C13H14N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7,14H,5-6,8H2,(H,15,16)(H,17,18)/p-1
InChIKeyWPZHLFMFBBIAFZ-UHFFFAOYSA-M
XLogP-0.03
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroprop-2-enyl)-3-(1H-indol-3-yl)propanamide
CID 115636757
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-[2-(1H-indol-3-yl)ethylamino]-4-oxobutanoate
CID 7019224
N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[(2-bromophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 70209057
3-(1H-indol-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 17473957
3-(1H-indol-3-yl)-N-(2-sulfamoylethyl)propanamide
CID 43582891
3-(1H-indol-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60983559
2-[[2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetate
CID 7009664
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 26447481
N-[[4-(dimethylamino)phenyl]methyl]-3-(1H-indol-3-yl)propanamide
CID 17478687

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]acetate?
The IUPAC name of 2-[3-(1H-indol-3-yl)propanoylamino]acetate (CID 7677841) is 2-[3-(1H-indol-3-yl)propanoylamino]acetate.
What is the SMILES notation for 2-[3-(1H-indol-3-yl)propanoylamino]acetate?
The canonical SMILES for 2-[3-(1H-indol-3-yl)propanoylamino]acetate is O=C([O-])CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[3-(1H-indol-3-yl)propanoylamino]acetate?
The InChIKey is WPZHLFMFBBIAFZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N2O3/c16-12(15-8-13(17)18)6-5-9-7-14-11-4-2-1-3-10(9)11/h1-4,7,14H,5-6,8H2,(H,15,16)(H,17,18)/p-1.
What are the key properties of 2-[3-(1H-indol-3-yl)propanoylamino]acetate?
2-[3-(1H-indol-3-yl)propanoylamino]acetate has a molecular weight of 245.26 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indol-3-yl)propanoylamino]acetate is sourced from PubChem (CID 7677841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).