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

C15H19NO5 — CID 119225550

IUPAC2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-10(15(18)19)16-14(17)11-4-2-5-12(8-11)21-9-13-6-3-7-20-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMYZSXBSCMMCUQX-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.45
Rot. Bonds6

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

2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid (PubChem CID 119225550) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
PubChem CID119225550
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
SMILESCC(NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O
InChIInChI=1S/C15H19NO5/c1-10(15(18)19)16-14(17)11-4-2-5-12(8-11)21-9-13-6-3-7-20-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMYZSXBSCMMCUQX-UHFFFAOYSA-N
XLogP1.45
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.45
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-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
CID 119165878
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
CID 38615399
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
3-(2-methylpropoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17140356
N-[2-(dimethylamino)-2-phenylethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 43044138

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid (CID 119225550) is 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid is CC(NC(=O)c1cccc(OCC2CCCO2)c1)C(=O)O.
What is the InChIKey of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
The InChIKey is MYZSXBSCMMCUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10(15(18)19)16-14(17)11-4-2-5-12(8-11)21-9-13-6-3-7-20-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid?
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.45, 6 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]propanoic acid is sourced from PubChem (CID 119225550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).