2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid

C14H19NO4 — CID 54846765

IUPAC2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
SMILESNC(Cc1ccc(OCC2CCCO2)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c15-13(14(16)17)8-10-3-5-11(6-4-10)19-9-12-2-1-7-18-12/h3-6,12-13H,1-2,7-9,15H2,(H,16,17)
InChIKeyDGJNXYOOSIWJAB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.20
Rot. Bonds6

About 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid

2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid (PubChem CID 54846765) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
PubChem CID54846765
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid
SMILESNC(Cc1ccc(OCC2CCCO2)cc1)C(=O)O
InChIInChI=1S/C14H19NO4/c15-13(14(16)17)8-10-3-5-11(6-4-10)19-9-12-2-1-7-18-12/h3-6,12-13H,1-2,7-9,15H2,(H,16,17)
InChIKeyDGJNXYOOSIWJAB-UHFFFAOYSA-N
XLogP1.20
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[4-(oxolan-2-ylmethoxy)phenyl]methylamino]-3-phenylpropanoic acid
CID 120510718
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-phenoxyacetamide
CID 42961546
[4-[4-(oxolan-2-ylmethoxy)phenyl]phenyl]methanamine
CID 43174548
[2-oxo-3-[4-[[(2R)-oxolan-2-yl]methoxy]benzoyl]oxypropyl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 29182803
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
2-amino-3-[4-(1,3-dioxan-2-yl)phenyl]propanoic acid
CID 24753909

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid (CID 54846765) is 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid is NC(Cc1ccc(OCC2CCCO2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid?
The InChIKey is DGJNXYOOSIWJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c15-13(14(16)17)8-10-3-5-11(6-4-10)19-9-12-2-1-7-18-12/h3-6,12-13H,1-2,7-9,15H2,(H,16,17).
What are the key properties of 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid?
2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(oxolan-2-ylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 54846765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).