2-(acridine-2-carbonylamino)acetic acid

C16H12N2O3 — CID 169198326

IUPAC2-(acridine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C16H12N2O3/c19-15(20)9-17-16(21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)18-14/h1-8H,9H2,(H,17,21)(H,19,20)
InChIKeyLKNBZDXPTOSEIY-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.20
Rot. Bonds3

About 2-(acridine-2-carbonylamino)acetic acid

2-(acridine-2-carbonylamino)acetic acid (PubChem CID 169198326) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-(acridine-2-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(acridine-2-carbonylamino)acetic acid
PubChem CID169198326
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name2-(acridine-2-carbonylamino)acetic acid
SMILESO=C(O)CNC(=O)c1ccc2nc3ccccc3cc2c1
InChIInChI=1S/C16H12N2O3/c19-15(20)9-17-16(21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)18-14/h1-8H,9H2,(H,17,21)(H,19,20)
InChIKeyLKNBZDXPTOSEIY-UHFFFAOYSA-N
XLogP2.20
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(acridine-3-carbonylamino)acetic acid
CID 169198105
N-[6-(2-aminoethylamino)hexyl]acridine-2-carboxamide;hydrochloride
CID 45261359
2-benzamidoacetic acid;hydrofluoride
CID 174760685
bis(2-aminoacetic acid);2-benzamidoacetic acid
CID 175296236
2-[(6-fluoroquinoline-3-carbonyl)amino]acetic acid
CID 110489772
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
CID 10380616
N-(2-amino-2-sulfanylideneethyl)quinoline-6-carboxamide
CID 62850973
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
2-[[4-[[3-(phenylsulfanylamino)quinoxalin-2-yl]amino]benzoyl]amino]acetic acid
CID 123481275
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
N-(acridin-4-ylmethyl)-4-phenyldiazenylbenzamide
CID 11144187

Frequently Asked Questions

What is the IUPAC name of 2-(acridine-2-carbonylamino)acetic acid?
The IUPAC name of 2-(acridine-2-carbonylamino)acetic acid (CID 169198326) is 2-(acridine-2-carbonylamino)acetic acid.
What is the SMILES notation for 2-(acridine-2-carbonylamino)acetic acid?
The canonical SMILES for 2-(acridine-2-carbonylamino)acetic acid is O=C(O)CNC(=O)c1ccc2nc3ccccc3cc2c1.
What is the InChIKey of 2-(acridine-2-carbonylamino)acetic acid?
The InChIKey is LKNBZDXPTOSEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-15(20)9-17-16(21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)18-14/h1-8H,9H2,(H,17,21)(H,19,20).
What are the key properties of 2-(acridine-2-carbonylamino)acetic acid?
2-(acridine-2-carbonylamino)acetic acid has a molecular weight of 280.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acridine-2-carbonylamino)acetic acid is sourced from PubChem (CID 169198326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).