(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid

C22H24N2O5S2 — CID 170847509

IUPAC(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
SMILESNC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C22H22N2OS.H2O4S/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;1-5(2,3)4/h1-15,20H,16,23H2,(H2,24,25);(H2,1,2,3,4)/t20-;/m0./s1
InChIKeyZIFCSCZINGHYLW-BDQAORGHSA-N
MW460.58 g/mol
LogP2.87
Rot. Bonds7

About (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid

(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid (PubChem CID 170847509) has the molecular formula C22H24N2O5S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid.

Molecular Properties

Compound Name(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
PubChem CID170847509
Molecular FormulaC22H24N2O5S2
Molecular Weight460.58 g/mol
Exact Mass460.11
IUPAC Name(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid
SMILESNC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)(O)O
InChIInChI=1S/C22H22N2OS.H2O4S/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;1-5(2,3)4/h1-15,20H,16,23H2,(H2,24,25);(H2,1,2,3,4)/t20-;/m0./s1
InChIKeyZIFCSCZINGHYLW-BDQAORGHSA-N
XLogP2.87
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanamide
CID 71170093
(2R)-2-amino-3-[diphenyl-(4-phenylphenyl)methyl]sulfanylpropanoic acid
CID 51356551
(2R)-2-amino-3-[(4-hydroxyphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 24860496
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]acetic acid
CID 21117270
(2R)-2-amino-3-[(3-chlorophenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326474
tert-butyl (2S)-2-amino-3-tritylsulfanylpropanoate;hydrochloride
CID 131697882
2-amino-3-[(3,4-dimethylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 71664710
2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]propanoic acid
CID 24860491
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;(2R)-2-amino-3-tritylsulfanylpropanoic acid
CID 146572168
(2-phenylacetyl) (2R)-2-amino-3-tritylsulfanylpropanoate
CID 56614370
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-tritylsulfanylpropan-2-yl]-3-tritylsulfanylpropanamide
CID 138708285
tert-butyl N-[(2R)-2-amino-3-tritylsulfanylpropanoyl]carbamate
CID 57173848

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid?
The IUPAC name of (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid (CID 170847509) is (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid.
What is the SMILES notation for (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid?
The canonical SMILES for (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid is NC(=O)[C@@H](N)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.O=S(=O)(O)O.
What is the InChIKey of (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid?
The InChIKey is ZIFCSCZINGHYLW-BDQAORGHSA-N. The full InChI is InChI=1S/C22H22N2OS.H2O4S/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;1-5(2,3)4/h1-15,20H,16,23H2,(H2,24,25);(H2,1,2,3,4)/t20-;/m0./s1.
What are the key properties of (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid?
(2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid has a molecular weight of 460.58 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-tritylsulfanylpropanamide;sulfuric acid is sourced from PubChem (CID 170847509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).