naphthalen-2-yl 3-aminopropanoate

C13H13NO2 — CID 82113672

IUPACnaphthalen-2-yl 3-aminopropanoate
SMILESNCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c14-8-7-13(15)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2
InChIKeyCTLULZXSEZBPMR-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.09
Rot. Bonds3

About naphthalen-2-yl 3-aminopropanoate

naphthalen-2-yl 3-aminopropanoate (PubChem CID 82113672) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is naphthalen-2-yl 3-aminopropanoate.

Molecular Properties

Compound Namenaphthalen-2-yl 3-aminopropanoate
PubChem CID82113672
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namenaphthalen-2-yl 3-aminopropanoate
SMILESNCCC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c14-8-7-13(15)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2
InChIKeyCTLULZXSEZBPMR-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl 3-sulfanylpropanoate
CID 169079274
naphthalen-2-yl 4-bromobutanoate
CID 532375
naphthalen-2-yl 4-chlorobutanoate
CID 532367
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
(3,4-difluorophenyl) 3-aminopropanoate
CID 82112405
dinaphthalen-2-yl (2S)-2-hydroxybutanedioate
CID 101049041
phenyl 3-aminopropanoate;hydrochloride
CID 67243612
1-O-(3-chlorophenyl) 5-O-naphthalen-2-yl pentanedioate
CID 91718930
1-O-(2-methylpropyl) 10-O-naphthalen-2-yl decanedioate
CID 91718888
1-O-(2-methylpropyl) 7-O-naphthalen-2-yl heptanedioate
CID 91718854
(4-phenoxyphenyl) 3-aminopropanoate
CID 94272044
naphthalen-2-yl 2-nitroacetate
CID 139660327

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl 3-aminopropanoate?
The IUPAC name of naphthalen-2-yl 3-aminopropanoate (CID 82113672) is naphthalen-2-yl 3-aminopropanoate.
What is the SMILES notation for naphthalen-2-yl 3-aminopropanoate?
The canonical SMILES for naphthalen-2-yl 3-aminopropanoate is NCCC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of naphthalen-2-yl 3-aminopropanoate?
The InChIKey is CTLULZXSEZBPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c14-8-7-13(15)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8,14H2.
What are the key properties of naphthalen-2-yl 3-aminopropanoate?
naphthalen-2-yl 3-aminopropanoate has a molecular weight of 215.25 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl 3-aminopropanoate is sourced from PubChem (CID 82113672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).