naphthalen-1-yl (2R)-2-aminopropanoate

C13H13NO2 — CID 18639263

IUPACnaphthalen-1-yl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(14)13(15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t9-/m1/s1
InChIKeyUCVVDURPZNVMNR-SECBINFHSA-N
MW215.25 g/mol
LogP2.09
Rot. Bonds2

About naphthalen-1-yl (2R)-2-aminopropanoate

naphthalen-1-yl (2R)-2-aminopropanoate (PubChem CID 18639263) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is naphthalen-1-yl (2R)-2-aminopropanoate.

Molecular Properties

Compound Namenaphthalen-1-yl (2R)-2-aminopropanoate
PubChem CID18639263
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namenaphthalen-1-yl (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-9(14)13(15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t9-/m1/s1
InChIKeyUCVVDURPZNVMNR-SECBINFHSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl (2R)-2-aminopropanoate?
The IUPAC name of naphthalen-1-yl (2R)-2-aminopropanoate (CID 18639263) is naphthalen-1-yl (2R)-2-aminopropanoate.
What is the SMILES notation for naphthalen-1-yl (2R)-2-aminopropanoate?
The canonical SMILES for naphthalen-1-yl (2R)-2-aminopropanoate is C[C@@H](N)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl (2R)-2-aminopropanoate?
The InChIKey is UCVVDURPZNVMNR-SECBINFHSA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(14)13(15)16-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,14H2,1H3/t9-/m1/s1.
What are the key properties of naphthalen-1-yl (2R)-2-aminopropanoate?
naphthalen-1-yl (2R)-2-aminopropanoate has a molecular weight of 215.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl (2R)-2-aminopropanoate is sourced from PubChem (CID 18639263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).