2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid

C10H20N2O4S — CID 104569874

IUPAC2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCOCCN(C)CCNC(=O)CSCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-12(5-6-16-2)4-3-11-9(13)7-17-8-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyXRXLXGDCMIKVIS-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.50
Rot. Bonds10

About 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569874) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID104569874
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESCOCCN(C)CCNC(=O)CSCC(=O)O
InChIInChI=1S/C10H20N2O4S/c1-12(5-6-16-2)4-3-11-9(13)7-17-8-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyXRXLXGDCMIKVIS-UHFFFAOYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
2-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569861
4-[[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 129046478
N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-(prop-2-ynylamino)acetamide
CID 79271047
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
2-[2-[[3-(dimethylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569132
2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569490
4-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-oxobut-2-enoic acid
CID 76950647
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
3-[ethyl-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]amino]propanoic acid
CID 62851164

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 104569874) is 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid is COCCN(C)CCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is XRXLXGDCMIKVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-12(5-6-16-2)4-3-11-9(13)7-17-8-10(14)15/h3-8H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 264.35 g/mol, XLogP of -0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).