(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid

C18H21NO2S — CID 24806224

IUPAC(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid
SMILESCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-2-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)22-13-16(19)17(20)21/h3-12,16H,2,13,19H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyFQQGOQUGLYTNND-INIZCTEOSA-N
MW315.44 g/mol
LogP3.49
Rot. Bonds7

About (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid

(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid (PubChem CID 24806224) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid
PubChem CID24806224
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid
SMILESCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2S/c1-2-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)22-13-16(19)17(20)21/h3-12,16H,2,13,19H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyFQQGOQUGLYTNND-INIZCTEOSA-N
XLogP3.49
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid (CID 24806224) is (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid is CCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid?
The InChIKey is FQQGOQUGLYTNND-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-2-18(14-9-5-3-6-10-14,15-11-7-4-8-12-15)22-13-16(19)17(20)21/h3-12,16H,2,13,19H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid?
(2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid has a molecular weight of 315.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1,1-diphenylpropylsulfanyl)propanoic acid is sourced from PubChem (CID 24806224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).