methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate

C14H15NO3 — CID 79016866

IUPACmethyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(N)c1ccc(OC)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-17-12-8-7-11(13(15)14(16)18-2)9-5-3-4-6-10(9)12/h3-8,13H,15H2,1-2H3
InChIKeyUATRETKWHSUZDZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.02
Rot. Bonds3

About methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate

methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate (PubChem CID 79016866) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
PubChem CID79016866
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
SMILESCOC(=O)C(N)c1ccc(OC)c2ccccc12
InChIInChI=1S/C14H15NO3/c1-17-12-8-7-11(13(15)14(16)18-2)9-5-3-4-6-10(9)12/h3-8,13H,15H2,1-2H3
InChIKeyUATRETKWHSUZDZ-UHFFFAOYSA-N
XLogP2.02
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
methyl (2S)-2-amino-2-(2-chloro-3,4-dimethoxyphenyl)acetate;hydrochloride
CID 171202030
methyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945069
methyl (3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 171245129
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
CID 142960386
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
CID 171212058
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
ethyl 3-amino-3-(4-methoxynaphthalen-1-yl)propanoate;hydrochloride
CID 2945823
(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
methyl (2S)-2-amino-2-quinolin-4-ylacetate;hydrochloride
CID 171217015
(2R)-2-azaniumyl-2-(4-methoxynaphthalen-1-yl)acetate
CID 7128411

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate?
The IUPAC name of methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate (CID 79016866) is methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate is COC(=O)C(N)c1ccc(OC)c2ccccc12.
What is the InChIKey of methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate?
The InChIKey is UATRETKWHSUZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-12-8-7-11(13(15)14(16)18-2)9-5-3-4-6-10(9)12/h3-8,13H,15H2,1-2H3.
What are the key properties of methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate?
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate has a molecular weight of 245.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate is sourced from PubChem (CID 79016866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).