(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid

C7H14N2O5S — CID 171384283

IUPAC(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid
SMILESCC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-5(10)9-2-3-15(13,14)4-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyZZYVIJXEFFEZIM-LURJTMIESA-N
MW238.26 g/mol
LogP-2.05
Rot. Bonds6

About (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid

(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid (PubChem CID 171384283) has the molecular formula C7H14N2O5S and a molecular weight of 238.26 g/mol. Its IUPAC name is (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid
PubChem CID171384283
Molecular FormulaC7H14N2O5S
Molecular Weight238.26 g/mol
Exact Mass238.06
IUPAC Name(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid
SMILESCC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H14N2O5S/c1-5(10)9-2-3-15(13,14)4-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKeyZZYVIJXEFFEZIM-LURJTMIESA-N
XLogP-2.05
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,S-Diacetylcysteine
CID 65690
Acetyl-L-methionine sulfoxide
CID 7408371
epsilon-N-acetylthialysine
CID 193562
(2S)-2-acetamido-3-ethylsulfanylpropanoic acid
CID 70695244
N-acetylmethionine sulfone
CID 15703351
N-Acetyl-S-(2-carboxyethyl)-L-cysteine
CID 108073
N-Acetyl-S-(propionamide)cysteine
CID 157849
S-ethyl-N-acetyl-cysteine
CID 19896458
L-Cysteine, N-acetyl-S-ethyl-
CID 147382
1,1,5-Trioxo-1lambda6-thiomorpholine-3-carboxylic acid
CID 67931099
N-acetyl-L-methionine sulfoximine
CID 91972244
(R)-N-acetyl-S-methyl-L-cysteine sulfoxide
CID 168007620

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid?
The IUPAC name of (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid (CID 171384283) is (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid.
What is the SMILES notation for (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid?
The canonical SMILES for (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid is CC(=O)NCCS(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid?
The InChIKey is ZZYVIJXEFFEZIM-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O5S/c1-5(10)9-2-3-15(13,14)4-6(8)7(11)12/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1.
What are the key properties of (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid?
(2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid has a molecular weight of 238.26 g/mol, XLogP of -2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-acetamidoethylsulfonyl)-2-aminopropanoic acid is sourced from PubChem (CID 171384283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).