2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid

C6H11NO5S — CID 6354533

IUPAC2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C6H11NO5S/c8-5-3-13(11,12)2-4(5)7-1-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
InChIKeySTVZCHIOQLIKAY-RFZPGFLSSA-N
MW209.22 g/mol
LogP-2.18
Rot. Bonds3

About 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid

2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid (PubChem CID 6354533) has the molecular formula C6H11NO5S and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
PubChem CID6354533
Molecular FormulaC6H11NO5S
Molecular Weight209.22 g/mol
Exact Mass209.04
IUPAC Name2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid
SMILESO=C(O)CN[C@@H]1CS(=O)(=O)C[C@H]1O
InChIInChI=1S/C6H11NO5S/c8-5-3-13(11,12)2-4(5)7-1-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1
InChIKeySTVZCHIOQLIKAY-RFZPGFLSSA-N
XLogP-2.18
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 5-2.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methylprop-2-enylamino)-1,1-dioxothiolan-3-ol
CID 114616796
4-[2-(4-hydroxy-1,1-dioxothiolan-3-yl)hydrazinyl]-1,1-dioxothiolan-3-ol
CID 3831220
4-(ethylamino)-1,1-dioxothiolan-3-ol
CID 6484129
2-[[(3S,4R)-4-(butylamino)-1,1-dioxothiolan-3-yl]amino]acetic acid
CID 7038712
(3S,4S)-1,1-dioxo-4-(propylamino)thiolan-3-ol
CID 7138714
4-(2,2-dimethylpropylamino)-1,1-dioxothiolan-3-ol
CID 61166838
(3R,4R)-4-(2-methylpropylamino)-1,1-dioxothiolan-3-ol
CID 1239637
6-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-4,4-dimethylhexanoic acid
CID 65289067
(3S,4S)-4-(3-hydroxypropylamino)-1,1-dioxothiolan-3-ol
CID 6347765
(3R,4R)-1,1-dioxo-4-(prop-2-ynylamino)thiolan-3-ol
CID 51889343
4-[(2-methyl-2-methylsulfonylpropyl)amino]-1,1-dioxothiolan-3-ol
CID 79552365
methyl 3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanoate
CID 60719747

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid?
The IUPAC name of 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid (CID 6354533) is 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid?
The canonical SMILES for 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid is O=C(O)CN[C@@H]1CS(=O)(=O)C[C@H]1O.
What is the InChIKey of 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid?
The InChIKey is STVZCHIOQLIKAY-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11NO5S/c8-5-3-13(11,12)2-4(5)7-1-6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5-/m1/s1.
What are the key properties of 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid?
2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid has a molecular weight of 209.22 g/mol, XLogP of -2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]amino]acetic acid is sourced from PubChem (CID 6354533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).