2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

C22H23NO6 — CID 70652039

IUPAC2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESCOc1cccc(C2=CCC(C(=O)NC(COCc3ccccc3)C(=O)O)O2)c1
InChIInChI=1S/C22H23NO6/c1-27-17-9-5-8-16(12-17)19-10-11-20(29-19)21(24)23-18(22(25)26)14-28-13-15-6-3-2-4-7-15/h2-10,12,18,20H,11,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyNSXBCRFIVWHBLK-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.61
Rot. Bonds9

About 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (PubChem CID 70652039) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
PubChem CID70652039
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESCOc1cccc(C2=CCC(C(=O)NC(COCc3ccccc3)C(=O)O)O2)c1
InChIInChI=1S/C22H23NO6/c1-27-17-9-5-8-16(12-17)19-10-11-20(29-19)21(24)23-18(22(25)26)14-28-13-15-6-3-2-4-7-15/h2-10,12,18,20H,11,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyNSXBCRFIVWHBLK-UHFFFAOYSA-N
XLogP2.61
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid with MolForge

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Related Compounds

(2S)-2-[[5-(3-hydroxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70651743
(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70651395
2-acetamido-3-[(3-methoxyphenyl)methoxy]propanoic acid
CID 65443170
N-(1,1-dihydroxy-3-phenylmethoxypropan-2-yl)-4-(3-methoxyphenyl)furan-2-carboxamide
CID 123212371
methyl 3-[(3-methoxyphenyl)methoxy]-2-methylpropanoate
CID 43537941
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
2-[[4-(3,4-dimethoxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 56596925
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
3-[(3-ethoxyphenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651372
(2S)-3-phenylmethoxy-2-[(4-pyridin-3-ylfuran-2-carbonyl)amino]propanoic acid
CID 70652014
3-[(3-fluorophenyl)methoxy]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70651354
(3R)-N-[(2S)-1-(3-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29139180

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The IUPAC name of 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (CID 70652039) is 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.
What is the SMILES notation for 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The canonical SMILES for 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is COc1cccc(C2=CCC(C(=O)NC(COCc3ccccc3)C(=O)O)O2)c1.
What is the InChIKey of 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The InChIKey is NSXBCRFIVWHBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-27-17-9-5-8-16(12-17)19-10-11-20(29-19)21(24)23-18(22(25)26)14-28-13-15-6-3-2-4-7-15/h2-10,12,18,20H,11,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid has a molecular weight of 397.43 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 70652039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).