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

C6H10N2O4S — CID 115573216

IUPAC2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESNC(=O)CNC(=O)CSCC(=O)O
InChIInChI=1S/C6H10N2O4S/c7-4(9)1-8-5(10)2-13-3-6(11)12/h1-3H2,(H2,7,9)(H,8,10)(H,11,12)
InChIKeyHIFNNWGDVDQORX-UHFFFAOYSA-N
MW206.22 g/mol
LogP-1.59
Rot. Bonds6

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

2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 115573216) has the molecular formula C6H10N2O4S and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
PubChem CID115573216
Molecular FormulaC6H10N2O4S
Molecular Weight206.22 g/mol
Exact Mass206.04
IUPAC Name2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid
SMILESNC(=O)CNC(=O)CSCC(=O)O
InChIInChI=1S/C6H10N2O4S/c7-4(9)1-8-5(10)2-13-3-6(11)12/h1-3H2,(H2,7,9)(H,8,10)(H,11,12)
InChIKeyHIFNNWGDVDQORX-UHFFFAOYSA-N
XLogP-1.59
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-methylprop-2-enylamino)-2-oxoethyl]sulfanylacetic acid
CID 114615305
2-[2-(2-aminoethylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569490
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
2-[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]sulfanylacetic acid
CID 115577333
2-[[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]acetyl]amino]acetamide
CID 168915407
2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylacetic acid
CID 16795839
2-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104570038
2-[2-(3-acetamidopropylamino)-2-oxoethyl]sulfanylacetic acid
CID 19593898
2-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569799
2-[2-(6-hydroxyhexylamino)-2-oxoethyl]sulfanylacetic acid
CID 107846497
2-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]sulfanylacetic acid
CID 120770556
2-[2-[2-[methyl(propan-2-yl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569861

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid (CID 115573216) is 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid is NC(=O)CNC(=O)CSCC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is HIFNNWGDVDQORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4S/c7-4(9)1-8-5(10)2-13-3-6(11)12/h1-3H2,(H2,7,9)(H,8,10)(H,11,12).
What are the key properties of 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 206.22 g/mol, XLogP of -1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 115573216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).