2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid

C11H21NO3 — CID 105468786

IUPAC2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
SMILESCOC1(CC(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-4-11(15-3,5-7-12)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyMRYVMLMOKBXMFP-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds4

About 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid

2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid (PubChem CID 105468786) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
PubChem CID105468786
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid
SMILESCOC1(CC(=O)O)CCN(C(C)C)CC1
InChIInChI=1S/C11H21NO3/c1-9(2)12-6-4-11(15-3,5-7-12)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyMRYVMLMOKBXMFP-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)acetic acid
CID 62395408
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
2-(4-methoxyoxan-4-yl)acetic acid
CID 84654866
2-(1-methyl-4-propan-2-yloxypiperidin-4-yl)acetic acid
CID 115029203
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)-N-methylethanamine
CID 112716671
2-[4-(methylamino)-1-propan-2-ylazepan-4-yl]acetic acid
CID 65236826
2-[3-(dimethylamino)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64528744
2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756
2-[3-(azepan-1-yl)-1-propan-2-ylpyrrolidin-3-yl]acetic acid
CID 64527717
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
methyl 4-piperazin-1-yl-1-propan-2-ylpiperidine-4-carboxylate
CID 54895312

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid (CID 105468786) is 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid is COC1(CC(=O)O)CCN(C(C)C)CC1.
What is the InChIKey of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
The InChIKey is MRYVMLMOKBXMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)12-6-4-11(15-3,5-7-12)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid?
2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propan-2-ylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 105468786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).