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

C20H25NO2S — CID 24806225

IUPAC(2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid
SMILESCCCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyOVYHEQOJVOYIGX-SFHVURJKSA-N
MW343.49 g/mol
LogP4.27
Rot. Bonds9

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

(2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid (PubChem CID 24806225) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid
PubChem CID24806225
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid
SMILESCCCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1
InChIKeyOVYHEQOJVOYIGX-SFHVURJKSA-N
XLogP4.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.27
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-diphenylpentylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid (CID 24806225) is (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid is CCCCC(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid?
The InChIKey is OVYHEQOJVOYIGX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-2-3-14-20(16-10-6-4-7-11-16,17-12-8-5-9-13-17)24-15-18(21)19(22)23/h4-13,18H,2-3,14-15,21H2,1H3,(H,22,23)/t18-/m0/s1.
What are the key properties of (2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid?
(2R)-2-amino-3-(1,1-diphenylpentylsulfanyl)propanoic acid has a molecular weight of 343.49 g/mol, XLogP of 4.27, 9 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-diphenylpentylsulfanyl)propanoic acid is sourced from PubChem (CID 24806225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).