(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid

C7H15NO2S — CID 59902215

IUPAC(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid
SMILESCCSC[C@H](CNC)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-3-11-5-6(4-8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFVLDWQUIJBZEMZ-LURJTMIESA-N
MW177.27 g/mol
LogP0.66
Rot. Bonds6

About (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid

(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid (PubChem CID 59902215) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid
PubChem CID59902215
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid
SMILESCCSC[C@H](CNC)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-3-11-5-6(4-8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1
InChIKeyFVLDWQUIJBZEMZ-LURJTMIESA-N
XLogP0.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid?
The IUPAC name of (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid (CID 59902215) is (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid?
The canonical SMILES for (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid is CCSC[C@H](CNC)C(=O)O.
What is the InChIKey of (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid?
The InChIKey is FVLDWQUIJBZEMZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2S/c1-3-11-5-6(4-8-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid?
(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid has a molecular weight of 177.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid is sourced from PubChem (CID 59902215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).