(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid

C9H19N3O5S — CID 106340510

IUPAC(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCS(=O)(=O)NC)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-4-7(8(13)14)12-9(15)11-5-6-18(16,17)10-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyHNANCYLLUBYEGM-ZETCQYMHSA-N
MW281.33 g/mol
LogP-0.91
Rot. Bonds8

About (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid

(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid (PubChem CID 106340510) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
PubChem CID106340510
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
SMILESCCC[C@H](NC(=O)NCCS(=O)(=O)NC)C(=O)O
InChIInChI=1S/C9H19N3O5S/c1-3-4-7(8(13)14)12-9(15)11-5-6-18(16,17)10-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1
InChIKeyHNANCYLLUBYEGM-ZETCQYMHSA-N
XLogP-0.91
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylsulfamoyl)ethylcarbamoylamino]-4-methylsulfonylbutanoic acid
CID 106340544
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
2-(2-propylsulfonylethylcarbamoylamino)pentanoic acid
CID 106722812
5-methoxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid
CID 106340722
2-(3-ethylsulfonylpropylcarbamoylamino)pentanoic acid
CID 65093773
(2R)-2-(2-acetamidoethylcarbamoylamino)pentanoic acid
CID 107566228
(2S)-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 107565891
2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]pentanoic acid
CID 61180979
(2R)-3,3-dimethyl-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340640
(2S)-2-(3,3-dimethylbutylcarbamoylamino)pentanoic acid
CID 94208084
(2S)-2-[(4-amino-4-oxobutyl)carbamoylamino]pentanoic acid
CID 107566288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid (CID 106340510) is (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid is CCC[C@H](NC(=O)NCCS(=O)(=O)NC)C(=O)O.
What is the InChIKey of (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is HNANCYLLUBYEGM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H19N3O5S/c1-3-4-7(8(13)14)12-9(15)11-5-6-18(16,17)10-2/h7,10H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)/t7-/m0/s1.
What are the key properties of (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid?
(2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 281.33 g/mol, XLogP of -0.91, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(methylsulfamoyl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 106340510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).