3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid

C16H17NO4 — CID 63650219

IUPAC3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1C(CC(=O)O)NC(C)=O
InChIInChI=1S/C16H17NO4/c1-10(18)17-13(9-15(19)20)16-12-6-4-3-5-11(12)7-8-14(16)21-2/h3-8,13H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBJEVLSCTLUFQED-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.50
Rot. Bonds5

About 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid

3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid (PubChem CID 63650219) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
PubChem CID63650219
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
SMILESCOc1ccc2ccccc2c1C(CC(=O)O)NC(C)=O
InChIInChI=1S/C16H17NO4/c1-10(18)17-13(9-15(19)20)16-12-6-4-3-5-11(12)7-8-14(16)21-2/h3-8,13H,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBJEVLSCTLUFQED-UHFFFAOYSA-N
XLogP2.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 63649897
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(3R)-3-acetamido-3-(2,3-dimethoxyphenyl)propanoic acid
CID 78947532
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
methyl (3S)-3-amino-3-(2-methoxynaphthalen-1-yl)propanoate
CID 61150374
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
2-(2-methoxynaphthalen-1-yl)-2-(propan-2-ylamino)acetic acid
CID 43754305
(3S)-3-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504331
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
(3R)-3-acetamido-3-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 104941201
2-(2-methoxyethylamino)-2-(2-methoxynaphthalen-1-yl)acetic acid
CID 62541221

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid?
The IUPAC name of 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid (CID 63650219) is 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid?
The canonical SMILES for 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid is COc1ccc2ccccc2c1C(CC(=O)O)NC(C)=O.
What is the InChIKey of 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid?
The InChIKey is BJEVLSCTLUFQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(18)17-13(9-15(19)20)16-12-6-4-3-5-11(12)7-8-14(16)21-2/h3-8,13H,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid?
3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid has a molecular weight of 287.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(2-methoxynaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 63650219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).