2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid

C17H11NO5 — CID 10380616

IUPAC2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H11NO5/c19-14(20)8-18-17(23)9-5-6-12-13(7-9)16(22)11-4-2-1-3-10(11)15(12)21/h1-7H,8H2,(H,18,23)(H,19,20)
InChIKeyBWKFLZCYESDCKX-UHFFFAOYSA-N
MW309.28 g/mol
LogP1.28
Rot. Bonds3

About 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid

2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid (PubChem CID 10380616) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
PubChem CID10380616
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H11NO5/c19-14(20)8-18-17(23)9-5-6-12-13(7-9)16(22)11-4-2-1-3-10(11)15(12)21/h1-7H,8H2,(H,18,23)(H,19,20)
InChIKeyBWKFLZCYESDCKX-UHFFFAOYSA-N
XLogP1.28
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoic acid
CID 72725647
N-ethyl-9,10-dioxoanthracene-2-carboxamide
CID 102014872
9,10-dioxo-N-prop-2-enylanthracene-2-carboxamide
CID 122602735
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-9-oxofluorene-2-carboxamide
CID 42060741
lithium;9,10-dioxoanthracene-2-carboxylic acid;hydride
CID 174801705
9,10-dioxoanthracene-2-carboxylic acid;gold
CID 175791261
N-(9,10-dioxoanthracen-2-yl)-9,10-dioxoanthracene-2-carboxamide
CID 122363971
4-[(9,10-dioxoanthracene-2-carbonyl)amino]benzoic acid
CID 155606415
2-benzamidoacetic acid;hydrofluoride
CID 174760685
N-[9-(4-aminobutylamino)nonyl]-9,10-dioxoanthracene-2-carboxamide
CID 148523711
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
N-[(3-carbamoylphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 32637447

Frequently Asked Questions

What is the IUPAC name of 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid (CID 10380616) is 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid?
The InChIKey is BWKFLZCYESDCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-14(20)8-18-17(23)9-5-6-12-13(7-9)16(22)11-4-2-1-3-10(11)15(12)21/h1-7H,8H2,(H,18,23)(H,19,20).
What are the key properties of 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid?
2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid has a molecular weight of 309.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9,10-dioxoanthracene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 10380616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).