2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid

C3H7NO4S — CID 90757657

IUPAC2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid
SMILESC=S(=O)(O)NCC(=O)O
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
InChIKeyUGZPKMHIUYNHKN-UHFFFAOYSA-N
MW153.16 g/mol
LogP-1.24
Rot. Bonds3

About 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid

2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid (PubChem CID 90757657) has the molecular formula C3H7NO4S and a molecular weight of 153.16 g/mol. Its IUPAC name is 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid
PubChem CID90757657
Molecular FormulaC3H7NO4S
Molecular Weight153.16 g/mol
Exact Mass153.01
IUPAC Name2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid
SMILESC=S(=O)(O)NCC(=O)O
InChIInChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8)
InChIKeyUGZPKMHIUYNHKN-UHFFFAOYSA-N
XLogP-1.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Methanesulfonamidoacetic acid
CID 3151236
2-Amino-2-sulfinoacetic acid
CID 21133293
2-(Methanesulfinamido)acetic acid
CID 83694265
2-Aminoacetic acid;methanesulfonic acid
CID 135324111
2-[[Dihydroxy(methyl)-lambda4-sulfanyl]amino]acetic acid
CID 153550754
2-(Sulfomethylsulfonylamino)acetic acid
CID 175277486
2-(Methylsulfonyloxysulfonylamino)acetic acid
CID 175277487
2-(Methanesulfonamido)acetic acid;hydrochloride
CID 177711937
2-(Sulfinoamino)acetic acid
CID 21760518

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid?
The IUPAC name of 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid (CID 90757657) is 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid.
What is the SMILES notation for 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid?
The canonical SMILES for 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid is C=S(=O)(O)NCC(=O)O.
What is the InChIKey of 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid?
The InChIKey is UGZPKMHIUYNHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO4S/c1-9(7,8)4-2-3(5)6/h1-2H2,(H,5,6)(H2,4,7,8).
What are the key properties of 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid?
2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid has a molecular weight of 153.16 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxy-methylidene-oxo-λ6-sulfanyl)amino]acetic acid is sourced from PubChem (CID 90757657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).