benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate

C30H28N2O3 — CID 11488105

IUPACbenzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate
SMILESN[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H28N2O3/c31-27(29(34)35-22-23-13-5-1-6-14-23)21-28(33)32-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22,31H2,(H,32,33)/t27-/m1/s1
InChIKeyZTAXRWLYJIUFFR-HHHXNRCGSA-N
MW464.57 g/mol
LogP4.56
Rot. Bonds9

About benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate

benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate (PubChem CID 11488105) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate
PubChem CID11488105
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Namebenzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate
SMILESN[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C30H28N2O3/c31-27(29(34)35-22-23-13-5-1-6-14-23)21-28(33)32-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22,31H2,(H,32,33)/t27-/m1/s1
InChIKeyZTAXRWLYJIUFFR-HHHXNRCGSA-N
XLogP4.56
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-2-[[(2S)-2-amino-4-oxo-4-(tritylamino)butanoyl]amino]-4-oxo-4-(tritylamino)butanoate
CID 11388759
benzyl (2S)-4-oxo-2-(phenylmethoxycarbonylaminomethyl)-4-(tritylamino)butanoate
CID 11157796
tert-butyl 2-amino-4-oxo-4-(tritylamino)butanoate;hydrochloride
CID 138114608
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
9H-fluoren-9-ylmethoxycarbonyl (2S)-2-amino-4-oxo-4-(tritylamino)butanoate
CID 22873843
benzyl 2-amino-3-[(2-amino-3-oxo-3-phenylmethoxypropyl)amino]propanoate
CID 57084222
benzyl 2,3-diaminopropanoate
CID 19891176
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
benzyl (2R)-2-amino-3-iodopropanoate
CID 11623654
tert-butyl (2S)-2-[[(2S)-2-amino-4-oxo-4-(tritylamino)butanoyl]amino]-4-methylpentanoate
CID 154618545
benzyl (2R)-3-iodo-2-(tritylamino)propanoate
CID 10530642
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-(tritylamino)butanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 175899058

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate?
The IUPAC name of benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate (CID 11488105) is benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate.
What is the SMILES notation for benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate?
The canonical SMILES for benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate is N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate?
The InChIKey is ZTAXRWLYJIUFFR-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H28N2O3/c31-27(29(34)35-22-23-13-5-1-6-14-23)21-28(33)32-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22,31H2,(H,32,33)/t27-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate?
benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate has a molecular weight of 464.57 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate is sourced from PubChem (CID 11488105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).