(2S)-3-methyl-2-(tritylamino)butanal

C24H25NO — CID 139696692

IUPAC(2S)-3-methyl-2-(tritylamino)butanal
SMILESCC(C)[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-19(2)23(18-26)25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23,25H,1-2H3/t23-/m1/s1
InChIKeyXYQBJBSQOZRMCR-HSZRJFAPSA-N
MW343.47 g/mol
LogP4.79
Rot. Bonds7

About (2S)-3-methyl-2-(tritylamino)butanal

(2S)-3-methyl-2-(tritylamino)butanal (PubChem CID 139696692) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-3-methyl-2-(tritylamino)butanal.

Molecular Properties

Compound Name(2S)-3-methyl-2-(tritylamino)butanal
PubChem CID139696692
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(2S)-3-methyl-2-(tritylamino)butanal
SMILESCC(C)[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H25NO/c1-19(2)23(18-26)25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23,25H,1-2H3/t23-/m1/s1
InChIKeyXYQBJBSQOZRMCR-HSZRJFAPSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(tritylamino)propanal
CID 11723234
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
1-(tritylamino)ethylphosphonic acid
CID 150279074
(4R)-5-oxo-4-(tritylamino)pentanamide
CID 59270312
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
(2S)-3-phenyl-2-[tritio(trityl)amino]propanal
CID 173343799
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
(2S)-2-trityloxypropanal
CID 11834057
2,9-dimethyl-N-trityldecan-5-amine
CID 67451317
2-acetamido-2-(tritylamino)acetic acid
CID 57262896
2-(tritylamino)pentanoic acid
CID 70010724

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-(tritylamino)butanal?
The IUPAC name of (2S)-3-methyl-2-(tritylamino)butanal (CID 139696692) is (2S)-3-methyl-2-(tritylamino)butanal.
What is the SMILES notation for (2S)-3-methyl-2-(tritylamino)butanal?
The canonical SMILES for (2S)-3-methyl-2-(tritylamino)butanal is CC(C)[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-3-methyl-2-(tritylamino)butanal?
The InChIKey is XYQBJBSQOZRMCR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H25NO/c1-19(2)23(18-26)25-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23,25H,1-2H3/t23-/m1/s1.
What are the key properties of (2S)-3-methyl-2-(tritylamino)butanal?
(2S)-3-methyl-2-(tritylamino)butanal has a molecular weight of 343.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-(tritylamino)butanal is sourced from PubChem (CID 139696692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).