2-acetamido-3-hydroxypropanoic acid;sulfane

C5H11NO4S — CID 175323357

IUPAC2-acetamido-3-hydroxypropanoic acid;sulfane
SMILESCC(=O)NC(CO)C(=O)O.S
InChIInChI=1S/C5H9NO4.H2S/c1-3(8)6-4(2-7)5(9)10;/h4,7H,2H2,1H3,(H,6,8)(H,9,10);1H2
InChIKeyBIHUZZRMZIQATJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP-1.32
Rot. Bonds3

About 2-acetamido-3-hydroxypropanoic acid;sulfane

2-acetamido-3-hydroxypropanoic acid;sulfane (PubChem CID 175323357) has the molecular formula C5H11NO4S and a molecular weight of 181.21 g/mol. Its IUPAC name is 2-acetamido-3-hydroxypropanoic acid;sulfane.

Molecular Properties

Compound Name2-acetamido-3-hydroxypropanoic acid;sulfane
PubChem CID175323357
Molecular FormulaC5H11NO4S
Molecular Weight181.21 g/mol
Exact Mass181.04
IUPAC Name2-acetamido-3-hydroxypropanoic acid;sulfane
SMILESCC(=O)NC(CO)C(=O)O.S
InChIInChI=1S/C5H9NO4.H2S/c1-3(8)6-4(2-7)5(9)10;/h4,7H,2H2,1H3,(H,6,8)(H,9,10);1H2
InChIKeyBIHUZZRMZIQATJ-UHFFFAOYSA-N
XLogP-1.32
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-acetamidopropanoylamino)-3-hydroxypropanoic acid
CID 61153507
2-acetamido-3-hydroxypropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 155273306
N-[(2R)-1-hydroxy-3-oxobutan-2-yl]acetamide
CID 90242919
N-[(2R)-1,3-dihydroxybut-3-en-2-yl]acetamide
CID 87061144
lithium;(2R)-2-acetamido-3-sulfanylpropanoic acid;hydride
CID 175290404
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
(2S)-2-acetamido-3-sulfanylpropanoic acid;bis((2R)-2-acetamido-3-sulfanylpropanoic acid)
CID 87596071
2-acetamido-3-sulfanylpropanoic acid;azane
CID 14369897
2-acetamidobutanoic acid;ethane;methanol
CID 143023346
(2S)-2-acetamido-3-[[(2S)-2-acetamido-2-carboxyethyl]disulfanyl]propanoic acid
CID 11461484
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-hydroxypropanoic acid;sulfane?
The IUPAC name of 2-acetamido-3-hydroxypropanoic acid;sulfane (CID 175323357) is 2-acetamido-3-hydroxypropanoic acid;sulfane.
What is the SMILES notation for 2-acetamido-3-hydroxypropanoic acid;sulfane?
The canonical SMILES for 2-acetamido-3-hydroxypropanoic acid;sulfane is CC(=O)NC(CO)C(=O)O.S.
What is the InChIKey of 2-acetamido-3-hydroxypropanoic acid;sulfane?
The InChIKey is BIHUZZRMZIQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.H2S/c1-3(8)6-4(2-7)5(9)10;/h4,7H,2H2,1H3,(H,6,8)(H,9,10);1H2.
What are the key properties of 2-acetamido-3-hydroxypropanoic acid;sulfane?
2-acetamido-3-hydroxypropanoic acid;sulfane has a molecular weight of 181.21 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-hydroxypropanoic acid;sulfane is sourced from PubChem (CID 175323357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).