(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid

C24H24N2O3 — CID 7408406

IUPAC(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
SMILESN[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m1/s1
InChIKeyXIFFJPJZPDCOJH-OAQYLSRUSA-N
MW388.47 g/mol
LogP3.29
Rot. Bonds8

About (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid

(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid (PubChem CID 7408406) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
PubChem CID7408406
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
SMILESN[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIInChI=1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m1/s1
InChIKeyXIFFJPJZPDCOJH-OAQYLSRUSA-N
XLogP3.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.29
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

(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
CID 166481771
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-oxo-5-(tritylamino)pentanoyl]amino]-4-oxo-4-(tritylamino)butanoyl]amino]-5-oxo-5-(tritylamino)pentanoyl]amino]-5-oxopentanoic acid
CID 175863110
(4S)-4-amino-4-(4-phenyl-1,3-thiazol-2-yl)-N-tritylbutanamide
CID 156868882
N-tritylpentanamide
CID 71163215
benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate
CID 11488105
(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429
tert-butyl 2-amino-4-oxo-4-(tritylamino)butanoate;hydrochloride
CID 138114608
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-oxo-4-(tritylamino)butanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
CID 175899058
(4S)-4-methyl-5-oxo-N-trityldec-9-enamide
CID 148701312
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid?
The IUPAC name of (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid (CID 7408406) is (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid?
The canonical SMILES for (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid is N[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid?
The InChIKey is XIFFJPJZPDCOJH-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N2O3/c25-21(23(28)29)16-17-22(27)26-24(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,25H2,(H,26,27)(H,28,29)/t21-/m1/s1.
What are the key properties of (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid?
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid has a molecular weight of 388.47 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid is sourced from PubChem (CID 7408406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).