2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid

C16H17NO4 — CID 63702147

IUPAC2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)(NC(C)=O)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO4/c1-10(18)17-16(2,15(19)20)13-6-4-12-9-14(21-3)7-5-11(12)8-13/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyBHRYCWUGPGBKQM-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.28
Rot. Bonds4

About 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid

2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 63702147) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID63702147
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid
SMILESCOc1ccc2cc(C(C)(NC(C)=O)C(=O)O)ccc2c1
InChIInChI=1S/C16H17NO4/c1-10(18)17-16(2,15(19)20)13-6-4-12-9-14(21-3)7-5-11(12)8-13/h4-9H,1-3H3,(H,17,18)(H,19,20)
InChIKeyBHRYCWUGPGBKQM-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
methyl 2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanoate
CID 60787718
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)propanamide
CID 60797013
2-acetamido-2-(3,4-dimethylphenyl)propanoic acid
CID 63705027
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
(2R)-2-acetamido-2-phenylpropanoic acid
CID 91535796
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
2-acetamido-2-(3-hydroxyphenyl)propanoic acid
CID 63702146
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
3-ethoxy-2-(6-methoxynaphthalen-2-yl)-2-methyl-3-oxopropanoic acid
CID 101052171
(2S)-2-(4-methoxyphenyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid
CID 169081160
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid (CID 63702147) is 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid is COc1ccc2cc(C(C)(NC(C)=O)C(=O)O)ccc2c1.
What is the InChIKey of 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is BHRYCWUGPGBKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(18)17-16(2,15(19)20)13-6-4-12-9-14(21-3)7-5-11(12)8-13/h4-9H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid?
2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 63702147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).