(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid

C23H22N2O3 — CID 7408309

IUPAC(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid
SMILESN[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-/m0/s1
InChIKeyBRRPJQYCERAMFI-FQEVSTJZSA-N
MW374.44 g/mol
LogP2.90
Rot. Bonds7

About (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid

(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid (PubChem CID 7408309) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid
PubChem CID7408309
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid
SMILESN[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-/m0/s1
InChIKeyBRRPJQYCERAMFI-FQEVSTJZSA-N
XLogP2.90
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid (CID 7408309) is (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid is N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid?
The InChIKey is BRRPJQYCERAMFI-FQEVSTJZSA-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-/m0/s1.
What are the key properties of (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid?
(2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-(tritylamino)butanoic acid is sourced from PubChem (CID 7408309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).