ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride

C14H16ClNO2 — CID 47002446

IUPACethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCCOC(=O)C(N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-2-17-14(16)13(15)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9,13H,2,15H2,1H3;1H
InChIKeyBHLRFXUJAVTYIS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.82
Rot. Bonds3

About ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride

ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride (PubChem CID 47002446) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
PubChem CID47002446
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Nameethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCCOC(=O)C(N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-2-17-14(16)13(15)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9,13H,2,15H2,1H3;1H
InChIKeyBHLRFXUJAVTYIS-UHFFFAOYSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-(naphthalen-2-yl)acetic acid
CID 2772357
Methyl 2-amino-2-(naphthalen-1-yl)acetate hydrochloride
CID 11184299
Amino-o-tolyl-acetic acid methyl ester hydrochloride
CID 17998897
(S)-(+)-2-Phenylglycine methyl ester hydrochloride
CID 11217910
Ethyl 2-Amino-2-Phenylacetate Hydrochloride
CID 2781252
2-Aminoethyl naphthalen-1-ylacetate
CID 24883481
Phenamacide
CID 35719
Ethyl phenylglycinate, DL-
CID 409886
Propyl amino(phenyl)acetate--hydrogen chloride (1/1)
CID 50444
[2-(3-Methylbutoxy)-2-oxo-1-phenylethyl]azanium;chloride
CID 35718
Octyl amino(phenyl)acetate--hydrogen chloride (1/1)
CID 50450
2-Methylpropyl amino(phenyl)acetate--hydrogen chloride (1/1)
CID 3071035

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride (CID 47002446) is ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride is CCOC(=O)C(N)c1cccc2ccccc12.Cl.
What is the InChIKey of ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The InChIKey is BHLRFXUJAVTYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c1-2-17-14(16)13(15)12-9-5-7-10-6-3-4-8-11(10)12;/h3-9,13H,2,15H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride is sourced from PubChem (CID 47002446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).