2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid

C10H20N2O4S — CID 79463856

IUPAC2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
SMILESCSCC(C)CNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(7-17-2)5-12-10(15)11-3-4-16-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyIUJYZVDNENNGNN-UHFFFAOYSA-N
MW264.35 g/mol
LogP0.39
Rot. Bonds9

About 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463856) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463856
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid
SMILESCSCC(C)CNC(=O)NCCOCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(7-17-2)5-12-10(15)11-3-4-16-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyIUJYZVDNENNGNN-UHFFFAOYSA-N
XLogP0.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-3-methylsulfanylpropyl)-3-propylurea
CID 115624328
2-[2-[2-(3-methylbutoxy)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463945
2-methyl-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 63957312
4,4-dimethyl-6-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]hexanoic acid
CID 65288816
(2S)-2-hydroxy-3-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]propanoic acid
CID 107840060
2-[[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]acetyl]amino]acetic acid
CID 63957321
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
2-[2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]ethoxy]acetic acid
CID 114117097
2-[2-[[(2S)-2-amino-3-methylbutanoyl]amino]ethoxy]acetic acid
CID 79457033
2-[2-[[3-(ethylamino)-2-methylpropanoyl]amino]ethoxy]acetic acid
CID 79457211

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid (CID 79463856) is 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid is CSCC(C)CNC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is IUJYZVDNENNGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(7-17-2)5-12-10(15)11-3-4-16-6-9(13)14/h8H,3-7H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 264.35 g/mol, XLogP of 0.39, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).