2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

C16H18NO6- — CID 163127926

IUPAC2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@@H](C)C(=O)OCCON([O-])O)ccc2c1
InChIInChI=1S/C16H18NO6/c1-11(16(18)22-7-8-23-17(19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11,19H,7-8H2,1-2H3/q-1/t11-/m1/s1
InChIKeyNWJFATMDNZSQDL-LLVKDONJSA-N
MW320.32 g/mol
LogP2.62
Rot. Bonds7

About 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate

2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 163127926) has the molecular formula C16H18NO6- and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID163127926
Molecular FormulaC16H18NO6-
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOc1ccc2cc([C@@H](C)C(=O)OCCON([O-])O)ccc2c1
InChIInChI=1S/C16H18NO6/c1-11(16(18)22-7-8-23-17(19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11,19H,7-8H2,1-2H3/q-1/t11-/m1/s1
InChIKeyNWJFATMDNZSQDL-LLVKDONJSA-N
XLogP2.62
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
2-(2-hydroxyethyldisulfanyl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 87404087
2-(2-hydroxyethylsulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 21075929
3-methylsulfonyloxypropyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 89099658
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853

Frequently Asked Questions

What is the IUPAC name of 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 163127926) is 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is COc1ccc2cc([C@@H](C)C(=O)OCCON([O-])O)ccc2c1.
What is the InChIKey of 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is NWJFATMDNZSQDL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18NO6/c1-11(16(18)22-7-8-23-17(19)20)12-3-4-14-10-15(21-2)6-5-13(14)9-12/h3-6,9-11,19H,7-8H2,1-2H3/q-1/t11-/m1/s1.
What are the key properties of 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate?
2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 320.32 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[hydroxy(oxido)amino]oxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 163127926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).