2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid

C6H12N2O3S — CID 104569490

IUPAC2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
SMILESNCCNC(=O)CSCC(=O)O
InChIInChI=1S/C6H12N2O3S/c7-1-2-8-5(9)3-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKeyILHYYYGEIMTZNA-UHFFFAOYSA-N
MW192.24 g/mol
LogP-1.12
Rot. Bonds6

About 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid

2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 104569490) has the molecular formula C6H12N2O3S and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
PubChem CID104569490
Molecular FormulaC6H12N2O3S
Molecular Weight192.24 g/mol
Exact Mass192.06
IUPAC Name2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
SMILESNCCNC(=O)CSCC(=O)O
InChIInChI=1S/C6H12N2O3S/c7-1-2-8-5(9)3-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11)
InChIKeyILHYYYGEIMTZNA-UHFFFAOYSA-N
XLogP-1.12
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57212
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N-(2-Aminoethyl)-2-(ethylsulfanyl)acetamide
CID 71341315
2-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylacetic acid
CID 43091411
2-{[2-(Trifluoroacetamido)ethyl]sulfanyl}acetic acid
CID 84421129
2-[2-(2,2-Difluoroethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104570234
S-acetylmercaptoacetylglycylglycylglycine
CID 14723672
2-{[(Ethylcarbamoyl)methyl]sulfanyl}acetic acid
CID 16789234
2-[2-(Methylamino)-2-oxoethyl]sulfanylacetic acid
CID 18070565
2-[2-[(2-Aminoacetyl)amino]ethylsulfanyl]acetic acid
CID 18978075
S-[2-(2-acetamidoethylamino)-2-oxoethyl] ethanethioate
CID 19593908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid (CID 104569490) is 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid is NCCNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is ILHYYYGEIMTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S/c7-1-2-8-5(9)3-12-4-6(10)11/h1-4,7H2,(H,8,9)(H,10,11).
What are the key properties of 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 192.24 g/mol, XLogP of -1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 104569490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).