3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid

C15H21NO4 — CID 102607406

IUPAC3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COC1COC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-8-16-15(14(17)18,11-20-13-9-19-10-13)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyVXDGQMHYSRPMRG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.38
Rot. Bonds8

About 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid

3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid (PubChem CID 102607406) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid.

Molecular Properties

Compound Name3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
PubChem CID102607406
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
SMILESCCCNC(COC1COC1)(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO4/c1-2-8-16-15(14(17)18,11-20-13-9-19-10-13)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18)
InChIKeyVXDGQMHYSRPMRG-UHFFFAOYSA-N
XLogP1.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclobutyloxy-2-phenyl-2-(propylamino)propanoic acid
CID 62140296
4-(oxetan-3-ylsulfanyl)-2-phenyl-2-(propylamino)butanoic acid
CID 116694802
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 106204230
3-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)propanoic acid
CID 82007199
methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
CID 102607628
methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
CID 63557499
2-phenyl-2-(propylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 116693516
4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
CID 102607453
4-(2,2-difluoroethoxy)-2-phenyl-2-(propylamino)butanoic acid
CID 116694434
2-(3-methylbutylamino)-2-phenylbutanoic acid
CID 114992700

Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid?
The IUPAC name of 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid (CID 102607406) is 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid.
What is the SMILES notation for 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid?
The canonical SMILES for 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid is CCCNC(COC1COC1)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid?
The InChIKey is VXDGQMHYSRPMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-8-16-15(14(17)18,11-20-13-9-19-10-13)12-6-4-3-5-7-12/h3-7,13,16H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid?
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid is sourced from PubChem (CID 102607406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).