2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C12H15NO2 — CID 22326320

IUPAC2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESNC(C(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7,13H2,(H,14,15)
InChIKeyQRDRVXBAMXIQMZ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 22326320) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID22326320
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESNC(C(=O)O)C1CCCc2ccccc21
InChIInChI=1S/C12H15NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7,13H2,(H,14,15)
InChIKeyQRDRVXBAMXIQMZ-UHFFFAOYSA-N
XLogP1.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 22326320) is 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is NC(C(=O)O)C1CCCc2ccccc21.
What is the InChIKey of 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is QRDRVXBAMXIQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(12(14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10-11H,3,5,7,13H2,(H,14,15).
What are the key properties of 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 22326320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).