methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride

C13H14ClNO3 — CID 171208922

IUPACmethyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C13H13NO3.ClH/c1-17-13(16)12(14)10-6-7-11(15)9-5-3-2-4-8(9)10;/h2-7,12,15H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyXHCJQYLKBOSGDP-YDALLXLXSA-N
MW267.71 g/mol
LogP2.14
Rot. Bonds2

About methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride

methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride (PubChem CID 171208922) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
PubChem CID171208922
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Namemethyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride
SMILESCOC(=O)[C@@H](N)c1ccc(O)c2ccccc12.Cl
InChIInChI=1S/C13H13NO3.ClH/c1-17-13(16)12(14)10-6-7-11(15)9-5-3-2-4-8(9)10;/h2-7,12,15H,14H2,1H3;1H/t12-;/m0./s1
InChIKeyXHCJQYLKBOSGDP-YDALLXLXSA-N
XLogP2.14
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl (2R)-2-amino-2-(2-iodophenyl)acetate;hydrochloride
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methyl (2R)-2-amino-2-(5-chloro-2-hydroxyphenyl)acetate;hydrochloride
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2-amino-3-(4-hydroxynaphthalen-1-yl)butanoic acid
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4-(1-methoxyethyl)naphthalen-1-ol
CID 102547369
4-(1-aminopropyl)naphthalen-1-ol
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride?
The IUPAC name of methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride (CID 171208922) is methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride?
The canonical SMILES for methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride is COC(=O)[C@@H](N)c1ccc(O)c2ccccc12.Cl.
What is the InChIKey of methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride?
The InChIKey is XHCJQYLKBOSGDP-YDALLXLXSA-N. The full InChI is InChI=1S/C13H13NO3.ClH/c1-17-13(16)12(14)10-6-7-11(15)9-5-3-2-4-8(9)10;/h2-7,12,15H,14H2,1H3;1H/t12-;/m0./s1.
What are the key properties of methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride?
methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride has a molecular weight of 267.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(4-hydroxynaphthalen-1-yl)acetate;hydrochloride is sourced from PubChem (CID 171208922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).