3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid

C10H19NO4 — CID 103224529

IUPAC3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCC(OC)CC1
InChIInChI=1S/C10H19NO4/c1-14-7-9(10(12)13)11-5-3-8(15-2)4-6-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCREFDRBJHWRRDW-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds5

About 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid

3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid (PubChem CID 103224529) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
PubChem CID103224529
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCC(OC)CC1
InChIInChI=1S/C10H19NO4/c1-14-7-9(10(12)13)11-5-3-8(15-2)4-6-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyCREFDRBJHWRRDW-UHFFFAOYSA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-methoxypropanoic acid
CID 112737748
2-(4,4-Difluoropiperidin-1-yl)-3-methoxypropanoic acid hydrochloride
CID 168009711
2-(4,4-Difluoropiperidin-1-yl)-3-methoxypropanoic acid
CID 168009712
3-Methoxy-2-[2-(trifluoromethyl)piperidin-1-yl]propanoic acid
CID 168009719
3-Hydroxy-2-piperidin-1-ylbutanoic acid
CID 414540
Methyl 2-(4-hydroxypiperidin-1-yl)propanoate
CID 19780667
3-Methoxy-2-piperidin-1-ylpropanoic acid
CID 21873266
3-Methoxy-2-morpholin-4-ylbutanoic acid
CID 21873289
4-Methoxy-2-(4-methoxypiperidin-1-yl)butanoic acid
CID 21873292
2-[Bis(3-methoxypropyl)amino]-3-methoxypropanoic acid
CID 21873294
Diethyl 2-piperidin-1-ylpropanedioate
CID 25420364
2-(4-Hydroxypiperidin-1-yl)propanoic acid
CID 43081526

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid (CID 103224529) is 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid is COCC(C(=O)O)N1CCC(OC)CC1.
What is the InChIKey of 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid?
The InChIKey is CREFDRBJHWRRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-7-9(10(12)13)11-5-3-8(15-2)4-6-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid?
3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methoxypiperidin-1-yl)propanoic acid is sourced from PubChem (CID 103224529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).