(3R)-3-amino-3-phenylpropanal

C9H11NO — CID 142843115

IUPAC(3R)-3-amino-3-phenylpropanal
SMILESN[C@H](CC=O)c1ccccc1
InChIInChI=1S/C9H11NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m1/s1
InChIKeyXCEAXSRYEFGESE-SECBINFHSA-N
MW149.19 g/mol
LogP1.28
Rot. Bonds3

About (3R)-3-amino-3-phenylpropanal

(3R)-3-amino-3-phenylpropanal (PubChem CID 142843115) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is (3R)-3-amino-3-phenylpropanal.

Molecular Properties

Compound Name(3R)-3-amino-3-phenylpropanal
PubChem CID142843115
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name(3R)-3-amino-3-phenylpropanal
SMILESN[C@H](CC=O)c1ccccc1
InChIInChI=1S/C9H11NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m1/s1
InChIKeyXCEAXSRYEFGESE-SECBINFHSA-N
XLogP1.28
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-phenylbutanal
CID 10877278
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
(3R)-3-phenylpentanal
CID 12598589
aniline;ethane;3-phenylbutanal
CID 172564179
(3S)-3-phenylhex-5-enal
CID 11229081
3-amino-3-anilinopropanal
CID 57291252
(2R,3R)-2-methyl-3-phenylpentanedial
CID 24741048
3,4-diphenylpentanal
CID 102432987
(2R,3S)-5-oxo-2,3-diphenylpentanoic acid
CID 162406136
ethyl (E,5S)-5-amino-5-phenylpent-2-enoate
CID 134945701
(1S)-1-phenylpropan-1-amine;hydrochloride
CID 44542268
3-amino-3-(5-methylthiophen-2-yl)propanal
CID 142024929

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-phenylpropanal?
The IUPAC name of (3R)-3-amino-3-phenylpropanal (CID 142843115) is (3R)-3-amino-3-phenylpropanal.
What is the SMILES notation for (3R)-3-amino-3-phenylpropanal?
The canonical SMILES for (3R)-3-amino-3-phenylpropanal is N[C@H](CC=O)c1ccccc1.
What is the InChIKey of (3R)-3-amino-3-phenylpropanal?
The InChIKey is XCEAXSRYEFGESE-SECBINFHSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(6-7-11)8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-phenylpropanal?
(3R)-3-amino-3-phenylpropanal has a molecular weight of 149.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-phenylpropanal is sourced from PubChem (CID 142843115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).