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

C13H17NO4 — CID 115005094

IUPAC2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
SMILESNC(Cc1ccccc1OC1CCOC1)C(=O)O
InChIInChI=1S/C13H17NO4/c14-11(13(15)16)7-9-3-1-2-4-12(9)18-10-5-6-17-8-10/h1-4,10-11H,5-8,14H2,(H,15,16)
InChIKeyDPXOMJLZLBLBSL-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.81
Rot. Bonds5

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

2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid (PubChem CID 115005094) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
PubChem CID115005094
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
SMILESNC(Cc1ccccc1OC1CCOC1)C(=O)O
InChIInChI=1S/C13H17NO4/c14-11(13(15)16)7-9-3-1-2-4-12(9)18-10-5-6-17-8-10/h1-4,10-11H,5-8,14H2,(H,15,16)
InChIKeyDPXOMJLZLBLBSL-UHFFFAOYSA-N
XLogP0.81
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
2-(oxolan-3-yloxy)benzamide
CID 68643948
(2S)-2-amino-3-[4-[[N'-[[2-(oxan-4-yloxy)phenyl]methyl]carbamimidoyl]carbamoyl]phenyl]propanoic acid
CID 118138826
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
2-amino-N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-2-phenylacetamide;hydrochloride
CID 119340201
3-amino-2-methyl-N-[2-(oxolan-3-yloxy)phenyl]butanamide;hydrochloride
CID 120501820
3-[2-(chloromethyl)phenoxy]oxane
CID 107135119
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
2-amino-3-[3-chloro-4-(oxetan-3-yloxy)phenyl]propanoic acid
CID 117431915
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid (CID 115005094) is 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid is NC(Cc1ccccc1OC1CCOC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid?
The InChIKey is DPXOMJLZLBLBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c14-11(13(15)16)7-9-3-1-2-4-12(9)18-10-5-6-17-8-10/h1-4,10-11H,5-8,14H2,(H,15,16).
What are the key properties of 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid?
2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid is sourced from PubChem (CID 115005094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).