2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid

C18H13NO5 — CID 54511869

IUPAC2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H13NO5/c20-16(21)11-19(13-7-2-1-3-8-13)17(22)14-10-12-6-4-5-9-15(12)24-18(14)23/h1-10H,11H2,(H,20,21)
InChIKeyYJRYJMANWGFGAU-UHFFFAOYSA-N
MW323.30 g/mol
LogP2.52
Rot. Bonds4

About 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid

2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid (PubChem CID 54511869) has the molecular formula C18H13NO5 and a molecular weight of 323.30 g/mol. Its IUPAC name is 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
PubChem CID54511869
Molecular FormulaC18H13NO5
Molecular Weight323.30 g/mol
Exact Mass323.08
IUPAC Name2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
InChIInChI=1S/C18H13NO5/c20-16(21)11-19(13-7-2-1-3-8-13)17(22)14-10-12-6-4-5-9-15(12)24-18(14)23/h1-10H,11H2,(H,20,21)
InChIKeyYJRYJMANWGFGAU-UHFFFAOYSA-N
XLogP2.52
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxy-N-(6-hydroxy-2-oxochromene-3-carbonyl)anilino)acetic acid
CID 54546692
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
2-oxochromene-3-carboxylic acid
CID 161011590
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-ethyl-3-oxo-N-phenylbenzo[f]chromene-2-carboxamide
CID 16645676
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-(3-chlorophenyl)-2-oxo-N-(thiophen-2-ylmethyl)chromene-3-carboxamide
CID 17013155
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
N-methyl-2-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]chromene-3-carboxamide
CID 9475464
N',N'-diethyl-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carbohydrazide
CID 90134002
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid (CID 54511869) is 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid is O=C(O)CN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1.
What is the InChIKey of 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid?
The InChIKey is YJRYJMANWGFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO5/c20-16(21)11-19(13-7-2-1-3-8-13)17(22)14-10-12-6-4-5-9-15(12)24-18(14)23/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid?
2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid has a molecular weight of 323.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-oxochromene-3-carbonyl)anilino)acetic acid is sourced from PubChem (CID 54511869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).