(2S)-2-amino-3-(tritylamino)propanoic acid

C22H22N2O2 — CID 57326381

IUPAC(2S)-2-amino-3-(tritylamino)propanoic acid
SMILESN[C@@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H22N2O2/c23-20(21(25)26)16-24-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,24H,16,23H2,(H,25,26)/t20-/m0/s1
InChIKeyHETXAESTAVRDLM-FQEVSTJZSA-N
MW346.43 g/mol
LogP2.98
Rot. Bonds7

About (2S)-2-amino-3-(tritylamino)propanoic acid

(2S)-2-amino-3-(tritylamino)propanoic acid (PubChem CID 57326381) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2S)-2-amino-3-(tritylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(tritylamino)propanoic acid
PubChem CID57326381
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name(2S)-2-amino-3-(tritylamino)propanoic acid
SMILESN[C@@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C22H22N2O2/c23-20(21(25)26)16-24-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,24H,16,23H2,(H,25,26)/t20-/m0/s1
InChIKeyHETXAESTAVRDLM-FQEVSTJZSA-N
XLogP2.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

L-leucine,n-(triphenylmethyl)-
CID 270298
N~4~-tritylasparagine
CID 15997511
N-Tritylglycine
CID 248898
D-Aspartic acid, N-(phenylmethyl)-3-((phenylmethyl)amino)-, (3S)-rel-
CID 108349
N-(Triphenylmethyl)-L-asparagine
CID 7408309
N-(Triphenylmethyl)-L-glutamine
CID 7408404
N-(Triphenylmethyl)-L-serine methyl ester
CID 7128367
Alanine, N-trityl-, DL-
CID 4999077
(2R)-2-[[3-methyl-4-[(E)-2-(2-methyl-3-phenylphenyl)ethenyl]phenyl]methylamino]propanoic acid
CID 138606928
N2-trityl-L-arginine
CID 97292
3-(Trityl-amino)-propionic acid
CID 5141817
3-((2-Phenylethyl)amino)alanine
CID 133429

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(tritylamino)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(tritylamino)propanoic acid (CID 57326381) is (2S)-2-amino-3-(tritylamino)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(tritylamino)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(tritylamino)propanoic acid is N[C@@H](CNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(tritylamino)propanoic acid?
The InChIKey is HETXAESTAVRDLM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N2O2/c23-20(21(25)26)16-24-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,24H,16,23H2,(H,25,26)/t20-/m0/s1.
What are the key properties of (2S)-2-amino-3-(tritylamino)propanoic acid?
(2S)-2-amino-3-(tritylamino)propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(tritylamino)propanoic acid is sourced from PubChem (CID 57326381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).