oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid

C19H19NO7 — CID 143975054

IUPACoxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid
SMILESNC(=O)C(=O)O.O=C(O)CCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O4.C2H3NO3/c18-16(19)11-8-13-6-9-15(10-7-13)21-17(20)12-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-7,9-10H,8,11-12H2,(H,18,19);(H2,3,4)(H,5,6)
InChIKeyLDOXFUVCXLOTEC-UHFFFAOYSA-N
MW373.36 g/mol
LogP1.41
Rot. Bonds6

About oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid

oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid (PubChem CID 143975054) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Nameoxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid
PubChem CID143975054
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Nameoxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid
SMILESNC(=O)C(=O)O.O=C(O)CCc1ccc(OC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O4.C2H3NO3/c18-16(19)11-8-13-6-9-15(10-7-13)21-17(20)12-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-7,9-10H,8,11-12H2,(H,18,19);(H2,3,4)(H,5,6)
InChIKeyLDOXFUVCXLOTEC-UHFFFAOYSA-N
XLogP1.41
TPSA143.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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barium(2+);hydride;phenyl 2-phenylacetate
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3-[4-(2-phenylethyl)phenyl]propanoic acid
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CID 70464798
CID 70464798
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
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(4-fluorophenyl) 3-phenylpropanoate
CID 562084
(4-propan-2-ylphenyl) 2-phenylacetate
CID 917902
3-(4-hydroperoxyphenyl)propanoic acid
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[4-[2-cyano-2-[4-(2-phenylacetyl)oxyphenyl]ethyl]phenyl] 2-phenylacetate
CID 134344429

Frequently Asked Questions

What is the IUPAC name of oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid?
The IUPAC name of oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid (CID 143975054) is oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid.
What is the SMILES notation for oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid?
The canonical SMILES for oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid is NC(=O)C(=O)O.O=C(O)CCc1ccc(OC(=O)Cc2ccccc2)cc1.
What is the InChIKey of oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid?
The InChIKey is LDOXFUVCXLOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4.C2H3NO3/c18-16(19)11-8-13-6-9-15(10-7-13)21-17(20)12-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-7,9-10H,8,11-12H2,(H,18,19);(H2,3,4)(H,5,6).
What are the key properties of oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid?
oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid has a molecular weight of 373.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxamic acid;3-[4-(2-phenylacetyl)oxyphenyl]propanoic acid is sourced from PubChem (CID 143975054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).