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

C17H23N3O5S — CID 119201528

IUPAC2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H23N3O5S/c1-3-20(4-2)26(24,25)11-16(21)19-15(17(22)23)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyDMNDNKNLGUDNTI-UHFFFAOYSA-N
MW381.45 g/mol
LogP0.95
Rot. Bonds9

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

2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 119201528) has the molecular formula C17H23N3O5S and a molecular weight of 381.45 g/mol. Its IUPAC name is 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID119201528
Molecular FormulaC17H23N3O5S
Molecular Weight381.45 g/mol
Exact Mass381.14
IUPAC Name2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C17H23N3O5S/c1-3-20(4-2)26(24,25)11-16(21)19-15(17(22)23)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,21)(H,22,23)
InChIKeyDMNDNKNLGUDNTI-UHFFFAOYSA-N
XLogP0.95
TPSA119.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91089934
(2S)-3-(1H-indol-3-yl)-2-[[2-(propanoylamino)acetyl]amino]propanoic acid
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3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid
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(2S)-3-(1H-indol-3-yl)-2-[(2-propan-2-yloxyacetyl)amino]propanoic acid
CID 59096141
5-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-(methylamino)-5-oxopentanoic acid
CID 85064207
(2S)-2-(docosanoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 171117069
lithium (2R)-2-amino-5-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 25010567
sodium;2-(dodecanoylamino)-3-(1H-indol-3-yl)propanoic acid;hydride
CID 174967996
sodium;hydride;(2S)-3-(1H-indol-3-yl)-2-(octanoylamino)propanoic acid
CID 175251451
(2S)-2-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 3038501
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid (CID 119201528) is 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid is CCN(CC)S(=O)(=O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is DMNDNKNLGUDNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O5S/c1-3-20(4-2)26(24,25)11-16(21)19-15(17(22)23)9-12-10-18-14-8-6-5-7-13(12)14/h5-8,10,15,18H,3-4,9,11H2,1-2H3,(H,19,21)(H,22,23).
What are the key properties of 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid?
2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 381.45 g/mol, XLogP of 0.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylsulfamoyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 119201528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).