ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate

C8H17NO4S — CID 129239324

IUPACethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate
SMILESCCOC(=O)[C@@](C)(CCN)S(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,5-6-9)14(3,11)12/h4-6,9H2,1-3H3/t8-/m1/s1
InChIKeyRLEHPNAXTPMVSF-MRVPVSSYSA-N
MW223.29 g/mol
LogP-0.30
Rot. Bonds5

About ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate

ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate (PubChem CID 129239324) has the molecular formula C8H17NO4S and a molecular weight of 223.29 g/mol. Its IUPAC name is ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate.

Molecular Properties

Compound Nameethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate
PubChem CID129239324
Molecular FormulaC8H17NO4S
Molecular Weight223.29 g/mol
Exact Mass223.09
IUPAC Nameethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate
SMILESCCOC(=O)[C@@](C)(CCN)S(C)(=O)=O
InChIInChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,5-6-9)14(3,11)12/h4-6,9H2,1-3H3/t8-/m1/s1
InChIKeyRLEHPNAXTPMVSF-MRVPVSSYSA-N
XLogP-0.30
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate?
The IUPAC name of ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate (CID 129239324) is ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate.
What is the SMILES notation for ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate?
The canonical SMILES for ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate is CCOC(=O)[C@@](C)(CCN)S(C)(=O)=O.
What is the InChIKey of ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate?
The InChIKey is RLEHPNAXTPMVSF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO4S/c1-4-13-7(10)8(2,5-6-9)14(3,11)12/h4-6,9H2,1-3H3/t8-/m1/s1.
What are the key properties of ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate?
ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate has a molecular weight of 223.29 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-4-amino-2-methyl-2-methylsulfonylbutanoate is sourced from PubChem (CID 129239324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).