3-(2-carboxyethylamino)naphthalene-2-carboxylic acid

C14H13NO4 — CID 767169

IUPAC3-(2-carboxyethylamino)naphthalene-2-carboxylic acid
SMILESO=C(O)CCNc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C14H13NO4/c16-13(17)5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14(18)19/h1-4,7-8,15H,5-6H2,(H,16,17)(H,18,19)
InChIKeyJPFQBHCHCFWVDF-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.42
Rot. Bonds5

About 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid

3-(2-carboxyethylamino)naphthalene-2-carboxylic acid (PubChem CID 767169) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-carboxyethylamino)naphthalene-2-carboxylic acid
PubChem CID767169
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name3-(2-carboxyethylamino)naphthalene-2-carboxylic acid
SMILESO=C(O)CCNc1cc2ccccc2cc1C(=O)O
InChIInChI=1S/C14H13NO4/c16-13(17)5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14(18)19/h1-4,7-8,15H,5-6H2,(H,16,17)(H,18,19)
InChIKeyJPFQBHCHCFWVDF-UHFFFAOYSA-N
XLogP2.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid?
The IUPAC name of 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid (CID 767169) is 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid.
What is the SMILES notation for 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid?
The canonical SMILES for 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid is O=C(O)CCNc1cc2ccccc2cc1C(=O)O.
What is the InChIKey of 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid?
The InChIKey is JPFQBHCHCFWVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-13(17)5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14(18)19/h1-4,7-8,15H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid?
3-(2-carboxyethylamino)naphthalene-2-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid is sourced from PubChem (CID 767169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).