(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid

C25H26N2O3 — CID 121225741

IUPAC(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
SMILESN[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)O
InChIInChI=1S/C25H26N2O3/c26-22(18-24(29)30)16-17-23(28)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,26H2,(H,27,28)(H,29,30)/t22-/m0/s1
InChIKeyAMXVFOPSNORPRB-QFIPXVFZSA-N
MW402.49 g/mol
LogP3.68
Rot. Bonds9

About (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid

(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid (PubChem CID 121225741) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
PubChem CID121225741
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid
SMILESN[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)O
InChIInChI=1S/C25H26N2O3/c26-22(18-24(29)30)16-17-23(28)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,26H2,(H,27,28)(H,29,30)/t22-/m0/s1
InChIKeyAMXVFOPSNORPRB-QFIPXVFZSA-N
XLogP3.68
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid 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

(2R)-2-amino-5-oxo-5-(tritylamino)pentanoic acid
CID 7408406
(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
(2S)-2-[[(2R)-2-amino-3-tritylsulfanylpropanoyl]amino]-5-oxo-5-(tritylamino)pentanoic acid
CID 175945312
fermium;5-oxo-2-(oxomethylamino)-5-(tritylamino)pentanoic acid
CID 166481771
N-tritylpentanamide
CID 71163215
3-amino-6-oxo-6-(4-phenoxyanilino)hexanoic acid
CID 74349721
(2S)-2-(methanesulfonamido)-5-oxo-5-(tritylamino)pentanoic acid
CID 153277346
(4S)-4-amino-4-(4-phenyl-1,3-thiazol-2-yl)-N-tritylbutanamide
CID 156868882
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
[1-fluoro-1,4-dioxo-4-(tritylamino)butan-2-yl]carbamic acid
CID 175259532

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid?
The IUPAC name of (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid (CID 121225741) is (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid.
What is the SMILES notation for (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid?
The canonical SMILES for (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid is N[C@@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)CC(=O)O.
What is the InChIKey of (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid?
The InChIKey is AMXVFOPSNORPRB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H26N2O3/c26-22(18-24(29)30)16-17-23(28)27-25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22H,16-18,26H2,(H,27,28)(H,29,30)/t22-/m0/s1.
What are the key properties of (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid?
(3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid has a molecular weight of 402.49 g/mol, XLogP of 3.68, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-oxo-6-(tritylamino)hexanoic acid is sourced from PubChem (CID 121225741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).