2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid

C7H12O5S2 — CID 71360068

IUPAC2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
SMILESO=C(O)CSCC(O)CSCC(=O)O
InChIInChI=1S/C7H12O5S2/c8-5(1-13-3-6(9)10)2-14-4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyGCWCKFFNVMYXNH-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.02
Rot. Bonds8

About 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid

2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid (PubChem CID 71360068) has the molecular formula C7H12O5S2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
PubChem CID71360068
Molecular FormulaC7H12O5S2
Molecular Weight240.30 g/mol
Exact Mass240.01
IUPAC Name2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
SMILESO=C(O)CSCC(O)CSCC(=O)O
InChIInChI=1S/C7H12O5S2/c8-5(1-13-3-6(9)10)2-14-4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12)
InChIKeyGCWCKFFNVMYXNH-UHFFFAOYSA-N
XLogP-0.02
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
(2S)-3-(carboxymethylsulfanyl)-2-methylpropanoic acid
CID 88779681
(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
CID 71539035
azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
CID 141310165
1-(2-hydroxy-3-methylsulfanylpropyl)sulfanylbutan-2-one
CID 89221761
4-(2-aminoethylsulfanyl)-3-hydroxybutanoic acid
CID 82777991
2-[3-[3-[3-(carboxymethylsulfanyl)propylsulfanyl]propylsulfanyl]propylsulfanyl]acetic acid;rhodium-105(3+)
CID 10457749
2-[2-[[2-(2-methylpropylsulfanyl)acetyl]amino]ethylsulfanyl]acetic acid
CID 115731527
2-(trimethylsilylmethylsulfanyl)acetic acid
CID 57226652
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
2-(2-methylprop-2-enylsulfanyl)acetic acid
CID 24710674
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propylsulfanyl]acetic acid
CID 155368854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid?
The IUPAC name of 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid (CID 71360068) is 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid?
The canonical SMILES for 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid is O=C(O)CSCC(O)CSCC(=O)O.
What is the InChIKey of 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid?
The InChIKey is GCWCKFFNVMYXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O5S2/c8-5(1-13-3-6(9)10)2-14-4-7(11)12/h5,8H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid?
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid has a molecular weight of 240.30 g/mol, XLogP of -0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid is sourced from PubChem (CID 71360068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).