2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid

C16H17NO4 — CID 15630617

IUPAC2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid
SMILESCOc1ccc2cc(C(C)C(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C16H17NO4/c1-10(16(20)17-9-15(18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHXDZYJGZCXWCX-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid

2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid (PubChem CID 15630617) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid
PubChem CID15630617
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid
SMILESCOc1ccc2cc(C(C)C(=O)NCC(=O)O)ccc2c1
InChIInChI=1S/C16H17NO4/c1-10(16(20)17-9-15(18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHXDZYJGZCXWCX-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid (CID 15630617) is 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid is COc1ccc2cc(C(C)C(=O)NCC(=O)O)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid?
The InChIKey is WHXDZYJGZCXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(16(20)17-9-15(18)19)11-3-4-13-8-14(21-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid?
2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)propanoylamino]acetic acid is sourced from PubChem (CID 15630617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).