2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid

C21H23NO5 — CID 119165878

IUPAC2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H23NO5/c23-20(22-19(21(24)25)12-15-6-2-1-3-7-15)16-8-4-9-17(13-16)27-14-18-10-5-11-26-18/h1-4,6-9,13,18-19H,5,10-12,14H2,(H,22,23)(H,24,25)
InChIKeyPPXFNYHTKAAZLO-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.67
Rot. Bonds8

About 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid

2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid (PubChem CID 119165878) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
PubChem CID119165878
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
SMILESO=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCC2CCCO2)c1
InChIInChI=1S/C21H23NO5/c23-20(22-19(21(24)25)12-15-6-2-1-3-7-15)16-8-4-9-17(13-16)27-14-18-10-5-11-26-18/h1-4,6-9,13,18-19H,5,10-12,14H2,(H,22,23)(H,24,25)
InChIKeyPPXFNYHTKAAZLO-UHFFFAOYSA-N
XLogP2.67
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
(2S)-2-[[3-[(oxolan-2-ylmethylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 23884725
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-phenylpropanoic acid
CID 120510718
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
N-[3-(oxolan-2-ylmethoxy)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 17141902
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(2-aminophenyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119421992

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid (CID 119165878) is 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid is O=C(NC(Cc1ccccc1)C(=O)O)c1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid?
The InChIKey is PPXFNYHTKAAZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c23-20(22-19(21(24)25)12-15-6-2-1-3-7-15)16-8-4-9-17(13-16)27-14-18-10-5-11-26-18/h1-4,6-9,13,18-19H,5,10-12,14H2,(H,22,23)(H,24,25).
What are the key properties of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid?
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid has a molecular weight of 369.42 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 119165878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).