2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid

C14H19NO5 — CID 117451366

IUPAC2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
SMILESCOc1c(OC2CCOCC2)cccc1C(N)C(=O)O
InChIInChI=1S/C14H19NO5/c1-18-13-10(12(15)14(16)17)3-2-4-11(13)20-9-5-7-19-8-6-9/h2-4,9,12H,5-8,15H2,1H3,(H,16,17)
InChIKeyRGQOLMNQPHCTIK-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid

2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid (PubChem CID 117451366) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
PubChem CID117451366
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
SMILESCOc1c(OC2CCOCC2)cccc1C(N)C(=O)O
InChIInChI=1S/C14H19NO5/c1-18-13-10(12(15)14(16)17)3-2-4-11(13)20-9-5-7-19-8-6-9/h2-4,9,12H,5-8,15H2,1H3,(H,16,17)
InChIKeyRGQOLMNQPHCTIK-UHFFFAOYSA-N
XLogP1.34
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-[2-methoxy-3-(oxolan-3-yloxy)phenyl]acetic acid
CID 117424076
2-amino-2-[3-(1-fluoroethyl)-2-methoxyphenyl]acetic acid
CID 84691082
2-(2-methoxyphenyl)-2-(oxan-4-yloxy)acetic acid
CID 142421148
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976
2-amino-2-(2-methoxy-3-methylphenyl)acetic acid
CID 82400552
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
1-[3-methoxy-2-(oxan-4-yloxy)phenyl]cyclopropane-1-carboxylic acid
CID 117472035
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420074
1-[2-methoxy-3-(oxan-4-yloxy)phenyl]cyclopentan-1-amine
CID 117470749
2-amino-2-(3-fluoro-2-methoxyphenyl)acetic acid;hydrobromide
CID 117449300
2-fluoro-6-(oxan-4-yloxy)benzoic acid
CID 79511239
2-(2-methoxy-3-piperidin-3-yloxyphenyl)propanoic acid
CID 117447792

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid (CID 117451366) is 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid is COc1c(OC2CCOCC2)cccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid?
The InChIKey is RGQOLMNQPHCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-13-10(12(15)14(16)17)3-2-4-11(13)20-9-5-7-19-8-6-9/h2-4,9,12H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid?
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid has a molecular weight of 281.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid is sourced from PubChem (CID 117451366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).