(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid

C11H21NO3 — CID 129414278

IUPAC(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCC[C@@H](COC)C1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14)12-6-4-5-9(7-12)8-15-2/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyZJMSYDJPZUAYLS-NXEZZACHSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds5

About (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid

(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid (PubChem CID 129414278) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
PubChem CID129414278
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid
SMILESCC[C@H](C(=O)O)N1CCC[C@@H](COC)C1
InChIInChI=1S/C11H21NO3/c1-3-10(11(13)14)12-6-4-5-9(7-12)8-15-2/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1
InChIKeyZJMSYDJPZUAYLS-NXEZZACHSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]propanoic acid
CID 129413747
2-[3-(ethylaminomethyl)piperidin-1-yl]butanoic acid
CID 64662613
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-[3-(methoxymethyl)piperidin-1-yl]pentan-3-one
CID 106587759
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
methanol;3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 172576332
(3S)-3-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167395488
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-phenylbutan-1-one
CID 64598997
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
2-[3-(1,1-difluoroethyl)piperidin-1-yl]butanoic acid
CID 121202512

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid?
The IUPAC name of (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid (CID 129414278) is (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid is CC[C@H](C(=O)O)N1CCC[C@@H](COC)C1.
What is the InChIKey of (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid?
The InChIKey is ZJMSYDJPZUAYLS-NXEZZACHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-10(11(13)14)12-6-4-5-9(7-12)8-15-2/h9-10H,3-8H2,1-2H3,(H,13,14)/t9-,10-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid?
(2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-(methoxymethyl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 129414278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).