2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid

C8H15NO3 — CID 64599596

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOCC1CCN(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-7-2-3-9(4-7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyVGQPFDICEPFSME-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.04
Rot. Bonds4

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid

2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 64599596) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
PubChem CID64599596
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
SMILESCOCC1CCN(CC(=O)O)C1
InChIInChI=1S/C8H15NO3/c1-12-6-7-2-3-9(4-7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyVGQPFDICEPFSME-UHFFFAOYSA-N
XLogP0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-3-[(dimethylamino)methyl]pyrrolidin-1-yl]acetic acid
CID 96554910
2-amino-3-[3-(methoxymethyl)pyrrolidin-1-yl]propanoic acid
CID 64599478
2-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-1,4-diazepan-1-yl]acetic acid
CID 64597622
2-[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 105346064
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2,4,6-trimethylphenyl)ethanone
CID 64597172
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetaldehyde
CID 64598603
6-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103737990
4-[3-(methoxymethyl)piperidin-1-yl]-3-methylbut-2-enoic acid
CID 106587562
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
2-[(3R)-3-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554917

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid (CID 64599596) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid is COCC1CCN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is VGQPFDICEPFSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-12-6-7-2-3-9(4-7)5-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid?
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 64599596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).