2-(2-amino-1H-naphthalen-2-yl)acetic acid

C12H13NO2 — CID 66609236

IUPAC2-(2-amino-1H-naphthalen-2-yl)acetic acid
SMILESNC1(CC(=O)O)C=Cc2ccccc2C1
InChIInChI=1S/C12H13NO2/c13-12(8-11(14)15)6-5-9-3-1-2-4-10(9)7-12/h1-6H,7-8,13H2,(H,14,15)
InChIKeyDQSITAVUJRGTNB-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.43
Rot. Bonds2

About 2-(2-amino-1H-naphthalen-2-yl)acetic acid

2-(2-amino-1H-naphthalen-2-yl)acetic acid (PubChem CID 66609236) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-(2-amino-1H-naphthalen-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-1H-naphthalen-2-yl)acetic acid
PubChem CID66609236
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name2-(2-amino-1H-naphthalen-2-yl)acetic acid
SMILESNC1(CC(=O)O)C=Cc2ccccc2C1
InChIInChI=1S/C12H13NO2/c13-12(8-11(14)15)6-5-9-3-1-2-4-10(9)7-12/h1-6H,7-8,13H2,(H,14,15)
InChIKeyDQSITAVUJRGTNB-UHFFFAOYSA-N
XLogP1.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1H-naphthalen-2-yl)acetic acid?
The IUPAC name of 2-(2-amino-1H-naphthalen-2-yl)acetic acid (CID 66609236) is 2-(2-amino-1H-naphthalen-2-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-1H-naphthalen-2-yl)acetic acid?
The canonical SMILES for 2-(2-amino-1H-naphthalen-2-yl)acetic acid is NC1(CC(=O)O)C=Cc2ccccc2C1.
What is the InChIKey of 2-(2-amino-1H-naphthalen-2-yl)acetic acid?
The InChIKey is DQSITAVUJRGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c13-12(8-11(14)15)6-5-9-3-1-2-4-10(9)7-12/h1-6H,7-8,13H2,(H,14,15).
What are the key properties of 2-(2-amino-1H-naphthalen-2-yl)acetic acid?
2-(2-amino-1H-naphthalen-2-yl)acetic acid has a molecular weight of 203.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1H-naphthalen-2-yl)acetic acid is sourced from PubChem (CID 66609236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).