(2S)-2-(tritylamino)propanal

C22H21NO — CID 11723234

IUPAC(2S)-2-(tritylamino)propanal
SMILESC[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23H,1H3/t18-/m0/s1
InChIKeyXQEIOAZEVQWYEK-SFHVURJKSA-N
MW315.42 g/mol
LogP4.16
Rot. Bonds6

About (2S)-2-(tritylamino)propanal

(2S)-2-(tritylamino)propanal (PubChem CID 11723234) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-(tritylamino)propanal.

Molecular Properties

Compound Name(2S)-2-(tritylamino)propanal
PubChem CID11723234
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name(2S)-2-(tritylamino)propanal
SMILESC[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23H,1H3/t18-/m0/s1
InChIKeyXQEIOAZEVQWYEK-SFHVURJKSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.16
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)-3-methyl-2-(tritylamino)butanal
CID 139696692
(2R)-3-methyl-2-(tritylamino)butanoic acid
CID 40522874
1-(tritylamino)ethylphosphonic acid
CID 150279074
(2S)-3-oxo-2-(tritylamino)butanoic acid
CID 67931409
(4R)-5-oxo-4-(tritylamino)pentanamide
CID 59270312
methyl (3S)-3-hydroxy-2-(tritylamino)butanoate
CID 59698250
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
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
2-(tritylamino)pentanoic acid
CID 70010724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tritylamino)propanal?
The IUPAC name of (2S)-2-(tritylamino)propanal (CID 11723234) is (2S)-2-(tritylamino)propanal.
What is the SMILES notation for (2S)-2-(tritylamino)propanal?
The canonical SMILES for (2S)-2-(tritylamino)propanal is C[C@@H](C=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(tritylamino)propanal?
The InChIKey is XQEIOAZEVQWYEK-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21NO/c1-18(17-24)23-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21/h2-18,23H,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-(tritylamino)propanal?
(2S)-2-(tritylamino)propanal has a molecular weight of 315.42 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tritylamino)propanal is sourced from PubChem (CID 11723234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).