2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid

C11H21NO3 — CID 121202742

IUPAC2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
SMILESCOCC1CN(C(C)C(=O)O)CC1(C)C
InChIInChI=1S/C11H21NO3/c1-8(10(13)14)12-5-9(6-15-4)11(2,3)7-12/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyKZWWEDRIGQYUBR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.06
Rot. Bonds4

About 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid

2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid (PubChem CID 121202742) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
PubChem CID121202742
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid
SMILESCOCC1CN(C(C)C(=O)O)CC1(C)C
InChIInChI=1S/C11H21NO3/c1-8(10(13)14)12-5-9(6-15-4)11(2,3)7-12/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyKZWWEDRIGQYUBR-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid (CID 121202742) is 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid is COCC1CN(C(C)C(=O)O)CC1(C)C.
What is the InChIKey of 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid?
The InChIKey is KZWWEDRIGQYUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(10(13)14)12-5-9(6-15-4)11(2,3)7-12/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid?
2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-3,3-dimethylpyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 121202742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).