(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid

C22H27NO2S — CID 24806227

IUPAC(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)C1CCCCC1)C(=O)O
InChIInChI=1S/C22H27NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16,23H2,(H,24,25)/t20-/m0/s1
InChIKeyAKLAXSZOQYHFCN-FQEVSTJZSA-N
MW369.53 g/mol
LogP4.66
Rot. Bonds7

About (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid

(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid (PubChem CID 24806227) has the molecular formula C22H27NO2S and a molecular weight of 369.53 g/mol. Its IUPAC name is (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid
PubChem CID24806227
Molecular FormulaC22H27NO2S
Molecular Weight369.53 g/mol
Exact Mass369.18
IUPAC Name(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid
SMILESN[C@@H](CSC(c1ccccc1)(c1ccccc1)C1CCCCC1)C(=O)O
InChIInChI=1S/C22H27NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16,23H2,(H,24,25)/t20-/m0/s1
InChIKeyAKLAXSZOQYHFCN-FQEVSTJZSA-N
XLogP4.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.53
LogP ≤ 54.66
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-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid (CID 24806227) is (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid is N[C@@H](CSC(c1ccccc1)(c1ccccc1)C1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid?
The InChIKey is AKLAXSZOQYHFCN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27NO2S/c23-20(21(24)25)16-26-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-2,4-7,10-13,19-20H,3,8-9,14-16,23H2,(H,24,25)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid?
(2R)-2-amino-3-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid has a molecular weight of 369.53 g/mol, XLogP of 4.66, 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-[cyclohexyl(diphenyl)methyl]sulfanylpropanoic acid is sourced from PubChem (CID 24806227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).