2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid

C20H17NO6 — CID 3782124

IUPAC2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)NC(C(=O)O)c3ccccc3)ccc12
InChIInChI=1S/C20H17NO6/c1-12-9-18(23)27-16-10-14(7-8-15(12)16)26-11-17(22)21-19(20(24)25)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,21,22)(H,24,25)
InChIKeyFLFMAUXSEZIPNJ-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.42
Rot. Bonds6

About 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid

2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid (PubChem CID 3782124) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
PubChem CID3782124
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
SMILESCc1cc(=O)oc2cc(OCC(=O)NC(C(=O)O)c3ccccc3)ccc12
InChIInChI=1S/C20H17NO6/c1-12-9-18(23)27-16-10-14(7-8-15(12)16)26-11-17(22)21-19(20(24)25)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,21,22)(H,24,25)
InChIKeyFLFMAUXSEZIPNJ-UHFFFAOYSA-N
XLogP2.42
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoylamino]-2-phenylacetic acid
CID 73399461
(2S)-2-[[2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 981826
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]pentanoic acid
CID 4668968
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7967936
N-[(2S)-5-methylhexan-2-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 7688955
(2R)-2-[[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetyl]amino]propanoic acid
CID 51808687
N-[1-(4-bromophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16548257
N-ethyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524830
N'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]-2-(4-methylphenoxy)acetohydrazide
CID 19166677
3-[2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propanoylamino]propanoic acid
CID 71950990
N-[1-(3,4-dichlorophenyl)ethyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 42900895
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid (CID 3782124) is 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid is Cc1cc(=O)oc2cc(OCC(=O)NC(C(=O)O)c3ccccc3)ccc12.
What is the InChIKey of 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid?
The InChIKey is FLFMAUXSEZIPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12-9-18(23)27-16-10-14(7-8-15(12)16)26-11-17(22)21-19(20(24)25)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,21,22)(H,24,25).
What are the key properties of 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid?
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid has a molecular weight of 367.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 3782124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).