benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

C20H24N2O2S — CID 92762881

IUPACbenzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCC1(C)S[C@H](CN)N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-20(2)18(22-16(13-21)25-20)19(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-18,22H,13,21H2,1-2H3/t16-,18-/m1/s1
InChIKeyVJDBJGIOWKYECA-SJLPKXTDSA-N
MW356.49 g/mol
LogP3.09
Rot. Bonds5

About benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate

benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (PubChem CID 92762881) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.

Molecular Properties

Compound Namebenzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
PubChem CID92762881
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Namebenzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate
SMILESCC1(C)S[C@H](CN)N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O2S/c1-20(2)18(22-16(13-21)25-20)19(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-18,22H,13,21H2,1-2H3/t16-,18-/m1/s1
InChIKeyVJDBJGIOWKYECA-SJLPKXTDSA-N
XLogP3.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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benzhydryl (2S)-2-bromopropanoate
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benzhydryl acetate;hydrazine
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(4S)-5,5-dimethyl-2-[[(2-phenylacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 129318427
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benzhydryl (6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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benzhydryl (2S,5R,6S)-6-bromo-6-[(1R)-1-hydroxyethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CID 13334729
benzhydryl (2S,3R,5S)-3-(chloromethyl)-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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2-[4-[amino(phenyl)methoxy]carbonyl-8-phenyl-1-thia-3,8-diazaspiro[4.5]decan-2-yl]acetic acid
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Frequently Asked Questions

What is the IUPAC name of benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The IUPAC name of benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate (CID 92762881) is benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate.
What is the SMILES notation for benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The canonical SMILES for benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is CC1(C)S[C@H](CN)N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
The InChIKey is VJDBJGIOWKYECA-SJLPKXTDSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-20(2)18(22-16(13-21)25-20)19(23)24-17(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-18,22H,13,21H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate?
benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate has a molecular weight of 356.49 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl (2R,4R)-2-(aminomethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate is sourced from PubChem (CID 92762881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).