propyl 3-amino-3-naphthalen-1-ylpropanoate

C16H19NO2 — CID 23109941

IUPACpropyl 3-amino-3-naphthalen-1-ylpropanoate
SMILESCCCOC(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-2-10-19-16(18)11-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,17H2,1H3
InChIKeySENIJPRUUHJBNX-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.18
Rot. Bonds5

About propyl 3-amino-3-naphthalen-1-ylpropanoate

propyl 3-amino-3-naphthalen-1-ylpropanoate (PubChem CID 23109941) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is propyl 3-amino-3-naphthalen-1-ylpropanoate.

Molecular Properties

Compound Namepropyl 3-amino-3-naphthalen-1-ylpropanoate
PubChem CID23109941
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namepropyl 3-amino-3-naphthalen-1-ylpropanoate
SMILESCCCOC(=O)CC(N)c1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-2-10-19-16(18)11-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,17H2,1H3
InChIKeySENIJPRUUHJBNX-UHFFFAOYSA-N
XLogP3.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
ethyl (3S)-3-naphthalen-1-yl-3-phenylpropanoate
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ethyl (3S)-3-amino-3-(4-methylnaphthalen-1-yl)propanoate
CID 171228563
2-methoxy-1-naphthalen-1-ylethanamine
CID 16790923
5-O-naphthalen-1-yl 1-O-propyl pentanedioate
CID 91708094
(2-amino-2-naphthalen-1-ylethyl)carbamic acid
CID 150721997
ethyl 2-cyano-2-naphthalen-1-ylacetate
CID 11031963
ethyl (3R)-3-amino-3-anthracen-9-ylpropanoate;hydrochloride
CID 171197606
2-heptoxy-1-naphthalen-1-ylethanamine
CID 43127496
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
ethyl 3-amino-3-(2-methylquinolin-4-yl)propanoate
CID 79237557
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033

Frequently Asked Questions

What is the IUPAC name of propyl 3-amino-3-naphthalen-1-ylpropanoate?
The IUPAC name of propyl 3-amino-3-naphthalen-1-ylpropanoate (CID 23109941) is propyl 3-amino-3-naphthalen-1-ylpropanoate.
What is the SMILES notation for propyl 3-amino-3-naphthalen-1-ylpropanoate?
The canonical SMILES for propyl 3-amino-3-naphthalen-1-ylpropanoate is CCCOC(=O)CC(N)c1cccc2ccccc12.
What is the InChIKey of propyl 3-amino-3-naphthalen-1-ylpropanoate?
The InChIKey is SENIJPRUUHJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-2-10-19-16(18)11-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,15H,2,10-11,17H2,1H3.
What are the key properties of propyl 3-amino-3-naphthalen-1-ylpropanoate?
propyl 3-amino-3-naphthalen-1-ylpropanoate has a molecular weight of 257.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-amino-3-naphthalen-1-ylpropanoate is sourced from PubChem (CID 23109941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).