2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

C21H19NO6 — CID 56596844

IUPAC2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESO=C(NC(COCc1ccccc1)C(=O)O)c1cc(-c2ccccc2O)co1
InChIInChI=1S/C21H19NO6/c23-18-9-5-4-8-16(18)15-10-19(28-12-15)20(24)22-17(21(25)26)13-27-11-14-6-2-1-3-7-14/h1-10,12,17,23H,11,13H2,(H,22,24)(H,25,26)
InChIKeyONNFZZYGYUQJJT-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.05
Rot. Bonds8

About 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (PubChem CID 56596844) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
PubChem CID56596844
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Name2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESO=C(NC(COCc1ccccc1)C(=O)O)c1cc(-c2ccccc2O)co1
InChIInChI=1S/C21H19NO6/c23-18-9-5-4-8-16(18)15-10-19(28-12-15)20(24)22-17(21(25)26)13-27-11-14-6-2-1-3-7-14/h1-10,12,17,23H,11,13H2,(H,22,24)(H,25,26)
InChIKeyONNFZZYGYUQJJT-UHFFFAOYSA-N
XLogP3.05
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The IUPAC name of 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (CID 56596844) is 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is O=C(NC(COCc1ccccc1)C(=O)O)c1cc(-c2ccccc2O)co1.
What is the InChIKey of 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The InChIKey is ONNFZZYGYUQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c23-18-9-5-4-8-16(18)15-10-19(28-12-15)20(24)22-17(21(25)26)13-27-11-14-6-2-1-3-7-14/h1-10,12,17,23H,11,13H2,(H,22,24)(H,25,26).
What are the key properties of 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid has a molecular weight of 381.38 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 56596844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).