2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid

C6H11NO3S — CID 6122729

IUPAC2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
SMILESC/C=C\S(=O)CC(N)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-
InChIKeyOKYHUOHBRKWCQJ-IHWYPQMZSA-N
MW177.23 g/mol
LogP-0.32
Rot. Bonds4

About 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid

2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid (PubChem CID 6122729) has the molecular formula C6H11NO3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
PubChem CID6122729
Molecular FormulaC6H11NO3S
Molecular Weight177.23 g/mol
Exact Mass177.05
IUPAC Name2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
SMILESC/C=C\S(=O)CC(N)C(=O)O
InChIInChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-
InChIKeyOKYHUOHBRKWCQJ-IHWYPQMZSA-N
XLogP-0.32
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid?
The IUPAC name of 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid (CID 6122729) is 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid.
What is the SMILES notation for 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid?
The canonical SMILES for 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid is C/C=C\S(=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid?
The InChIKey is OKYHUOHBRKWCQJ-IHWYPQMZSA-N. The full InChI is InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2-3,5H,4,7H2,1H3,(H,8,9)/b3-2-.
What are the key properties of 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid?
2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid has a molecular weight of 177.23 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid is sourced from PubChem (CID 6122729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).