2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid

C15H16N2O2 — CID 152729998

IUPAC2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid
SMILESNCCNC1c2cccc3cccc(c23)C1C(=O)O
InChIInChI=1S/C15H16N2O2/c16-7-8-17-14-11-6-2-4-9-3-1-5-10(12(9)11)13(14)15(18)19/h1-6,13-14,17H,7-8,16H2,(H,18,19)
InChIKeyZXKKFFOJTCIDEQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.61
Rot. Bonds4

About 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid

2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid (PubChem CID 152729998) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid
PubChem CID152729998
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid
SMILESNCCNC1c2cccc3cccc(c23)C1C(=O)O
InChIInChI=1S/C15H16N2O2/c16-7-8-17-14-11-6-2-4-9-3-1-5-10(12(9)11)13(14)15(18)19/h1-6,13-14,17H,7-8,16H2,(H,18,19)
InChIKeyZXKKFFOJTCIDEQ-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid?
The IUPAC name of 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid (CID 152729998) is 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid?
The canonical SMILES for 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid is NCCNC1c2cccc3cccc(c23)C1C(=O)O.
What is the InChIKey of 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid?
The InChIKey is ZXKKFFOJTCIDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c16-7-8-17-14-11-6-2-4-9-3-1-5-10(12(9)11)13(14)15(18)19/h1-6,13-14,17H,7-8,16H2,(H,18,19).
What are the key properties of 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid?
2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-1,2-dihydroacenaphthylene-1-carboxylic acid is sourced from PubChem (CID 152729998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).