2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid

C16H19N3O5 — CID 147717575

IUPAC2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
SMILESCOCCC(=O)Nc1ccc2ccn(CC(=O)NCC(=O)O)c2c1
InChIInChI=1S/C16H19N3O5/c1-24-7-5-14(20)18-12-3-2-11-4-6-19(13(11)8-12)10-15(21)17-9-16(22)23/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,21)(H,18,20)(H,22,23)
InChIKeyGVYBXEBECKSPMC-UHFFFAOYSA-N
MW333.34 g/mol
LogP0.82
Rot. Bonds8

About 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid

2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid (PubChem CID 147717575) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
PubChem CID147717575
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid
SMILESCOCCC(=O)Nc1ccc2ccn(CC(=O)NCC(=O)O)c2c1
InChIInChI=1S/C16H19N3O5/c1-24-7-5-14(20)18-12-3-2-11-4-6-19(13(11)8-12)10-15(21)17-9-16(22)23/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,21)(H,18,20)(H,22,23)
InChIKeyGVYBXEBECKSPMC-UHFFFAOYSA-N
XLogP0.82
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylamino)-N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]acetamide
CID 119764204
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
2-[5-[[2-(2-methoxyethoxy)acetyl]amino]indol-1-yl]acetic acid
CID 119235392
2-[6-(hydroxymethyl)indol-1-yl]-N-(2-methoxyethyl)acetamide
CID 102913025
5-[6-(2-methoxyethylsulfonylamino)indol-1-yl]-4-oxopentanoic acid
CID 158088681
methyl N-[2-[[1-(2-methoxyethyl)indol-5-yl]amino]-2-oxoethyl]carbamate
CID 71934793
2-[6-(hydroxymethyl)indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 102912972
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498
N-[1-[2-(methylamino)-2-oxoethyl]indol-6-yl]cyclopropanecarboxamide
CID 155948618
N-(4-bromophenyl)-2-(6-methylindol-1-yl)acetamide
CID 116546776
N-(4-aminophenyl)-2-(6-methylindol-1-yl)acetamide
CID 43163433
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid (CID 147717575) is 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid is COCCC(=O)Nc1ccc2ccn(CC(=O)NCC(=O)O)c2c1.
What is the InChIKey of 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid?
The InChIKey is GVYBXEBECKSPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-24-7-5-14(20)18-12-3-2-11-4-6-19(13(11)8-12)10-15(21)17-9-16(22)23/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,21)(H,18,20)(H,22,23).
What are the key properties of 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid?
2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid has a molecular weight of 333.34 g/mol, XLogP of 0.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-(3-methoxypropanoylamino)indol-1-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 147717575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).