2-[acetyl(naphthalen-1-yl)amino]acetic acid

C14H13NO3 — CID 14484967

IUPAC2-[acetyl(naphthalen-1-yl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-10(16)15(9-14(17)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyQBSLIZNCUSVPCU-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.28
Rot. Bonds3

About 2-[acetyl(naphthalen-1-yl)amino]acetic acid

2-[acetyl(naphthalen-1-yl)amino]acetic acid (PubChem CID 14484967) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[acetyl(naphthalen-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[acetyl(naphthalen-1-yl)amino]acetic acid
PubChem CID14484967
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-[acetyl(naphthalen-1-yl)amino]acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H13NO3/c1-10(16)15(9-14(17)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,17,18)
InChIKeyQBSLIZNCUSVPCU-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(naphthalen-1-yl)amino]acetic acid?
The IUPAC name of 2-[acetyl(naphthalen-1-yl)amino]acetic acid (CID 14484967) is 2-[acetyl(naphthalen-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[acetyl(naphthalen-1-yl)amino]acetic acid?
The canonical SMILES for 2-[acetyl(naphthalen-1-yl)amino]acetic acid is CC(=O)N(CC(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[acetyl(naphthalen-1-yl)amino]acetic acid?
The InChIKey is QBSLIZNCUSVPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10(16)15(9-14(17)18)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 2-[acetyl(naphthalen-1-yl)amino]acetic acid?
2-[acetyl(naphthalen-1-yl)amino]acetic acid has a molecular weight of 243.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(naphthalen-1-yl)amino]acetic acid is sourced from PubChem (CID 14484967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).