(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate

C23H22N2O3 — CID 9208986

IUPAC(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate
SMILES[NH3+][C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyBRRPJQYCERAMFI-HXUWFJFHSA-N
MW374.44 g/mol
LogP0.85
Rot. Bonds7

About (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate

(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate (PubChem CID 9208986) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate.

Molecular Properties

Compound Name(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate
PubChem CID9208986
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate
SMILES[NH3+][C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m1/s1
InChIKeyBRRPJQYCERAMFI-HXUWFJFHSA-N
XLogP0.85
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-azaniumyl-5-[[(4-methylphenyl)-diphenylmethyl]amino]-5-oxopentanoate
CID 7408429
(2S)-4-anilino-2-azaniumyl-4-oxobutanoate
CID 7060602
[1-fluoro-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamic acid
CID 175259532
benzyl (2R)-2-amino-4-oxo-4-(tritylamino)butanoate
CID 11488105
tert-butyl 2-amino-4-oxo-4-(tritylamino)butanoate;hydrochloride
CID 138114608
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
CID 121225741
N-tritylpentanamide
CID 71163215
(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
(2S)-2-azaniumyl-3-phenylpropanoate
CID 6925665
(2R)-2-azaniumyl-4-(methylamino)-4-oxobutanoate
CID 86308213
tert-butyl N-[(2S)-1-amino-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamate
CID 67560770
benzyl (2S)-4-oxo-2-(phenylmethoxycarbonylaminomethyl)-4-(tritylamino)butanoate
CID 11157796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate?
The IUPAC name of (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate (CID 9208986) is (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate.
What is the SMILES notation for (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate?
The canonical SMILES for (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate is [NH3+][C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate?
The InChIKey is BRRPJQYCERAMFI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N2O3/c24-20(22(27)28)16-21(26)25-23(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16,24H2,(H,25,26)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate?
(2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate has a molecular weight of 374.44 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azaniumyl-4-oxo-4-(tritylamino)butanoate is sourced from PubChem (CID 9208986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).