3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid

C11H21NO4 — CID 107393476

IUPAC3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H21NO4/c1-11(16-3)5-4-6-12(8-11)9(7-15-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPYDYHGGORPZDSA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.59
Rot. Bonds5

About 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid

3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid (PubChem CID 107393476) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid
PubChem CID107393476
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid
SMILESCOCC(C(=O)O)N1CCCC(C)(OC)C1
InChIInChI=1S/C11H21NO4/c1-11(16-3)5-4-6-12(8-11)9(7-15-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyPYDYHGGORPZDSA-UHFFFAOYSA-N
XLogP0.59
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropanoic acid
CID 103224775
2-(4-hydroxy-4-methylazepan-1-yl)-3-methoxypropanoic acid
CID 107405187
2-(2,2-dimethylthiomorpholin-4-yl)-3-methoxypropanoic acid
CID 103224888
2-(5-azaspiro[2.3]hexan-5-yl)-3-methoxypropanoic acid
CID 81082367
2-(8-azaspiro[4.5]decan-8-yl)-3-methoxypropanoic acid
CID 103224740
2-(2-azaspiro[3.6]decan-2-yl)-3-methoxypropanoic acid
CID 81082086
N'-hydroxy-2-(3-methoxy-3-methylpiperidin-1-yl)butanimidamide
CID 107392874
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107394689
4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
CID 107391498
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
3-methoxy-2-(1-oxo-1,4-thiazinan-4-yl)propanoic acid
CID 103224633
5-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 107393924

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid (CID 107393476) is 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid is COCC(C(=O)O)N1CCCC(C)(OC)C1.
What is the InChIKey of 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid?
The InChIKey is PYDYHGGORPZDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(16-3)5-4-6-12(8-11)9(7-15-2)10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid?
3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid has a molecular weight of 231.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 107393476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).