2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid

C11H22N2O3 — CID 64581345

IUPAC2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
SMILESCOCC1CCN(CCC(C)(N)C(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-11(12,10(14)15)4-6-13-5-3-9(7-13)8-16-2/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyGJSUJLKHRTXDJK-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.15
Rot. Bonds6

About 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid

2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid (PubChem CID 64581345) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
PubChem CID64581345
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
SMILESCOCC1CCN(CCC(C)(N)C(=O)O)C1
InChIInChI=1S/C11H22N2O3/c1-11(12,10(14)15)4-6-13-5-3-9(7-13)8-16-2/h9H,3-8,12H2,1-2H3,(H,14,15)
InChIKeyGJSUJLKHRTXDJK-UHFFFAOYSA-N
XLogP0.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]butanamide
CID 64583951
2-amino-4-(3-methoxypyrrolidin-1-yl)-2-methylbutanamide
CID 103538003
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
methyl 2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoate
CID 64583945
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
2-amino-2-methyl-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171016

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid?
The IUPAC name of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid (CID 64581345) is 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid.
What is the SMILES notation for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid?
The canonical SMILES for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid is COCC1CCN(CCC(C)(N)C(=O)O)C1.
What is the InChIKey of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid?
The InChIKey is GJSUJLKHRTXDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(12,10(14)15)4-6-13-5-3-9(7-13)8-16-2/h9H,3-8,12H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid?
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid is sourced from PubChem (CID 64581345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).