3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid

C15H22N2O3 — CID 117446398

IUPAC3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
SMILESCN1CCC(Oc2cccc(C(CN)C(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-17-7-5-12(6-8-17)20-13-4-2-3-11(9-13)14(10-16)15(18)19/h2-4,9,12,14H,5-8,10,16H2,1H3,(H,18,19)
InChIKeyGMVYYWWENUWDNX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.29
Rot. Bonds5

About 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid

3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid (PubChem CID 117446398) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
PubChem CID117446398
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
SMILESCN1CCC(Oc2cccc(C(CN)C(=O)O)c2)CC1
InChIInChI=1S/C15H22N2O3/c1-17-7-5-12(6-8-17)20-13-4-2-3-11(9-13)14(10-16)15(18)19/h2-4,9,12,14H,5-8,10,16H2,1H3,(H,18,19)
InChIKeyGMVYYWWENUWDNX-UHFFFAOYSA-N
XLogP1.29
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[3-(1,1-dioxothietan-3-yl)oxyphenyl]propanoic acid
CID 117459443
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117377386
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
3-amino-2-(4-cyclopentyloxyphenyl)propanoic acid
CID 117376397
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
(1-methylpiperidin-4-yl) (2R)-2-amino-2-phenylacetate
CID 61284960
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
3-amino-2-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117450025
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid?
The IUPAC name of 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid (CID 117446398) is 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid.
What is the SMILES notation for 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid?
The canonical SMILES for 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid is CN1CCC(Oc2cccc(C(CN)C(=O)O)c2)CC1.
What is the InChIKey of 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid?
The InChIKey is GMVYYWWENUWDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17-7-5-12(6-8-17)20-13-4-2-3-11(9-13)14(10-16)15(18)19/h2-4,9,12,14H,5-8,10,16H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid?
3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid is sourced from PubChem (CID 117446398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).