(2S)-2-amino-2-naphthalen-1-ylpropanal

C13H13NO — CID 87513009

IUPAC(2S)-2-amino-2-naphthalen-1-ylpropanal
SMILESC[C@@](N)(C=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO/c1-13(14,9-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t13-/m1/s1
InChIKeyOYFADLWKUDSLFZ-CYBMUJFWSA-N
MW199.25 g/mol
LogP2.21
Rot. Bonds2

About (2S)-2-amino-2-naphthalen-1-ylpropanal

(2S)-2-amino-2-naphthalen-1-ylpropanal (PubChem CID 87513009) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-amino-2-naphthalen-1-ylpropanal.

Molecular Properties

Compound Name(2S)-2-amino-2-naphthalen-1-ylpropanal
PubChem CID87513009
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name(2S)-2-amino-2-naphthalen-1-ylpropanal
SMILESC[C@@](N)(C=O)c1cccc2ccccc12
InChIInChI=1S/C13H13NO/c1-13(14,9-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t13-/m1/s1
InChIKeyOYFADLWKUDSLFZ-CYBMUJFWSA-N
XLogP2.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.21
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

(2S)-2-(methylamino)-2-naphthalen-1-ylpropanal
CID 88510080
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
1,1,1-trifluoro-2-naphthalen-1-ylpropan-2-amine
CID 63898473
3-methyl-1,1-dinaphthalen-1-ylbutane-1,2-diamine
CID 22486889
N-(2-methyl-2-naphthalen-1-ylpropyl)-2-oxoacetamide
CID 115166889
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
2,2-dinaphthalen-1-yl-3-oxobutanedial
CID 140640259
(E)-8,8-dimethyl-2-naphthalen-1-ylnon-4-en-6-yn-2-amine
CID 142761663
methyl 3-amino-3-naphthalen-1-ylbutanoate
CID 79849227
2,3-dimethyl-3-naphthalen-1-ylbutan-2-ol
CID 140553457
1,1-difluoro-1-naphthalen-1-ylpropan-2-amine
CID 116839348
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-naphthalen-1-ylpropanal?
The IUPAC name of (2S)-2-amino-2-naphthalen-1-ylpropanal (CID 87513009) is (2S)-2-amino-2-naphthalen-1-ylpropanal.
What is the SMILES notation for (2S)-2-amino-2-naphthalen-1-ylpropanal?
The canonical SMILES for (2S)-2-amino-2-naphthalen-1-ylpropanal is C[C@@](N)(C=O)c1cccc2ccccc12.
What is the InChIKey of (2S)-2-amino-2-naphthalen-1-ylpropanal?
The InChIKey is OYFADLWKUDSLFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13NO/c1-13(14,9-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-amino-2-naphthalen-1-ylpropanal?
(2S)-2-amino-2-naphthalen-1-ylpropanal has a molecular weight of 199.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-naphthalen-1-ylpropanal is sourced from PubChem (CID 87513009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).