2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid

C15H19NO4 — CID 71915689

IUPAC2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NCC(=O)O
InChIInChI=1S/C15H19NO4/c1-20-12-5-6-13-10(7-12)3-2-4-11(13)8-14(17)16-9-15(18)19/h5-7,11H,2-4,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyYHEAWPJUTFTZAM-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.71
Rot. Bonds5

About 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid

2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid (PubChem CID 71915689) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid
PubChem CID71915689
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid
SMILESCOc1ccc2c(c1)CCCC2CC(=O)NCC(=O)O
InChIInChI=1S/C15H19NO4/c1-20-12-5-6-13-10(7-12)3-2-4-11(13)8-14(17)16-9-15(18)19/h5-7,11H,2-4,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyYHEAWPJUTFTZAM-UHFFFAOYSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid (CID 71915689) is 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid is COc1ccc2c(c1)CCCC2CC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid?
The InChIKey is YHEAWPJUTFTZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-20-12-5-6-13-10(7-12)3-2-4-11(13)8-14(17)16-9-15(18)19/h5-7,11H,2-4,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid?
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 71915689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).