[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid

C5H11NO3S — CID 87852620

IUPAC[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
SMILESCSC[C@H](CO)NC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyDSTUTOYIOZFIGK-BYPYZUCNSA-N
MW165.21 g/mol
LogP-0.02
Rot. Bonds4

About [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid

[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid (PubChem CID 87852620) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
PubChem CID87852620
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
SMILESCSC[C@H](CO)NC(=O)O
InChIInChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyDSTUTOYIOZFIGK-BYPYZUCNSA-N
XLogP-0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
[(2R)-1-(carboxyamino)-3-hydroxypropan-2-yl]carbamic acid
CID 129243469
[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
CID 87493222
[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
CID 87382476
2-(ethylamino)-3-methylsulfanylpropan-1-ol
CID 64806015
[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
CID 87852629
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
1-methylsulfanylheptan-3-ylcarbamic acid
CID 155346909
[(2S)-4,5-dibutyl-1-hydroxynon-4-en-2-yl]carbamic acid
CID 151625474
2-methyl-3-(1-methylsulfanylbutan-2-ylamino)-3-oxopropanoic acid
CID 114899029
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
1-(1-hydroxypropan-2-yl)-3-(1-methylsulfanylpropan-2-yl)urea
CID 111435312

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid (CID 87852620) is [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid is CSC[C@H](CO)NC(=O)O.
What is the InChIKey of [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The InChIKey is DSTUTOYIOZFIGK-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H11NO3S/c1-10-3-4(2-7)6-5(8)9/h4,6-7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid has a molecular weight of 165.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid is sourced from PubChem (CID 87852620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).