(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid

C7H13NO3S — CID 132934359

IUPAC(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
SMILESC=CCCS(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-,12?/m0/s1
InChIKeyGRLDQNCGFPYOHV-RLWMBFFFSA-N
MW191.25 g/mol
LogP-0.28
Rot. Bonds6

About (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid

(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid (PubChem CID 132934359) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
PubChem CID132934359
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid
SMILESC=CCCS(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C7H13NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-,12?/m0/s1
InChIKeyGRLDQNCGFPYOHV-RLWMBFFFSA-N
XLogP-0.28
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(3-hydroxypropylsulfinyl)propanoic acid
CID 74324894
2-amino-3-(2-hydroxyethylsulfinyl)propanoic acid
CID 74324904
(2R)-2-amino-3-but-3-ynylsulfinylpropanoic acid
CID 132508502
2-amino-3-pentylsulfinylpropanoic acid
CID 103846087
(2R)-2-aminohept-6-enoic acid
CID 71352792
2-amino-3-pent-4-enoxypropanoic acid
CID 79114694
2-amino-3-[(Z)-prop-1-enyl]sulfinylpropanoic acid
CID 6122729
2-aminopent-4-enoic acid;cyclohexane
CID 174929503
2-amino-3-prop-2-enylsulfanylpropanoic acid;2-amino-3-prop-2-enylsulfinylpropanoic acid;bis(prop-2-enyl)tin;3-prop-2-enylsulfinylsulfanylprop-1-ene
CID 157498560
(2S)-2-amino-3-but-3-enylsulfanyl-3-methylbutanoic acid
CID 106443511
(2S)-2-ethenylhex-5-enoic acid
CID 91757260
(2R)-2-ethenylhex-5-enoic acid
CID 91757207

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid (CID 132934359) is (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid is C=CCCS(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid?
The InChIKey is GRLDQNCGFPYOHV-RLWMBFFFSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-2-3-4-12(11)5-6(8)7(9)10/h2,6H,1,3-5,8H2,(H,9,10)/t6-,12?/m0/s1.
What are the key properties of (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid?
(2R)-2-amino-3-but-3-enylsulfinylpropanoic acid has a molecular weight of 191.25 g/mol, XLogP of -0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-but-3-enylsulfinylpropanoic acid is sourced from PubChem (CID 132934359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).