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

3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
2-(4-cyclopropylpiperazin-1-yl)-3-methoxypropanoic acid
CID 103224616
(2R)-3-methoxy-2-(4-methyl-3,4,5,6-tetrahydro-2H-pyridin-5-ylium-1-yl)propanoic acid
CID 158879294
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 103224633
2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
CID 103224740
2-(3-ethoxypiperidin-1-yl)-3-methoxypropanoic acid
CID 103224650
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
2-(2,6-dimethylmorpholin-4-yl)-3-methoxypropanoic acid
CID 103224473
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methoxypropanoic acid
CID 103224901
3-methoxy-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanoic acid
CID 112519900
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
CID 81082367
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131

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).