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

C5H11NO3S — CID 87543822

IUPAC[(2R)-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-/m1/s1
InChIKeyDSTUTOYIOZFIGK-SCSAIBSYSA-N
MW165.21 g/mol
LogP-0.02
Rot. Bonds4

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

[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid (PubChem CID 87543822) has the molecular formula C5H11NO3S and a molecular weight of 165.21 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
PubChem CID87543822
Molecular FormulaC5H11NO3S
Molecular Weight165.21 g/mol
Exact Mass165.05
IUPAC Name[(2R)-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-/m1/s1
InChIKeyDSTUTOYIOZFIGK-SCSAIBSYSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid (CID 87543822) is [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid is CSC[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
The InChIKey is DSTUTOYIOZFIGK-SCSAIBSYSA-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-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid?
[(2R)-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 [(2R)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid is sourced from PubChem (CID 87543822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).