3-amino-2-(2-methoxyethylsulfonyl)propanoic acid

C6H13NO5S — CID 64695883

IUPAC3-amino-2-(2-methoxyethylsulfonyl)propanoic acid
SMILESCOCCS(=O)(=O)C(CN)C(=O)O
InChIInChI=1S/C6H13NO5S/c1-12-2-3-13(10,11)5(4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyWSUCFZJEWFJFHQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.54
Rot. Bonds6

About 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid

3-amino-2-(2-methoxyethylsulfonyl)propanoic acid (PubChem CID 64695883) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(2-methoxyethylsulfonyl)propanoic acid
PubChem CID64695883
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name3-amino-2-(2-methoxyethylsulfonyl)propanoic acid
SMILESCOCCS(=O)(=O)C(CN)C(=O)O
InChIInChI=1S/C6H13NO5S/c1-12-2-3-13(10,11)5(4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
InChIKeyWSUCFZJEWFJFHQ-UHFFFAOYSA-N
XLogP-1.54
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylsulfonyl)butanoic acid
CID 43808940
3-amino-2-pentylsulfonylpropanoic acid
CID 107767249
2-(3-methoxypropylsulfonyl)pentanoic acid
CID 83038871
2-(3-methoxypropylsulfonyl)-3-phenylpropanoic acid
CID 54935646
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfonyl]-3-methylbutanoic acid
CID 105354526
2-(aminomethyl)-4-methoxybutanoic acid;hydrochloride
CID 66545696
2-[2-(4-methoxyphenoxy)ethylsulfonyl]butanoic acid
CID 105354487
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
2-(2-cyanoethylsulfonyl)butanoic acid
CID 82531717
2-methoxyethanesulfonamide;hydrofluoride
CID 18951505
2-methoxyethyl 3-amino-2-hydroxypropanoate
CID 66165602

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid?
The IUPAC name of 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid (CID 64695883) is 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid.
What is the SMILES notation for 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid?
The canonical SMILES for 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid is COCCS(=O)(=O)C(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid?
The InChIKey is WSUCFZJEWFJFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-12-2-3-13(10,11)5(4-7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid?
3-amino-2-(2-methoxyethylsulfonyl)propanoic acid has a molecular weight of 211.24 g/mol, XLogP of -1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methoxyethylsulfonyl)propanoic acid is sourced from PubChem (CID 64695883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).