methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride

C13H14ClNO2 — CID 171212058

IUPACmethyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyCAXBPJGUHOJEHZ-YDALLXLXSA-N
MW251.71 g/mol
LogP2.43
Rot. Bonds2

About methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride

methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride (PubChem CID 171212058) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
PubChem CID171212058
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Namemethyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyCAXBPJGUHOJEHZ-YDALLXLXSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-amino-2-naphthalen-1-ylacetate
CID 139951095
[(1R)-2-methoxy-1-naphthalen-1-yl-2-oxoethyl]azanium
CID 7315729
methyl 2-amino-2-[5-(1-amino-2-oxopropyl)naphthalen-1-yl]acetate
CID 142960386
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
CID 19963460
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
CID 171208922
methyl 2-hydroxy-3-naphthalen-1-ylbutanoate
CID 66289635
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163
methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
CID 174899487
2-amino-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 23548500
methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
CID 171230140
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride (CID 171212058) is methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride is COC(=O)[C@@H](N)c1cccc2ccccc12.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The InChIKey is CAXBPJGUHOJEHZ-YDALLXLXSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride?
methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-naphthalen-1-ylacetate;hydrochloride is sourced from PubChem (CID 171212058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).