2-methoxy-2-pyrrolidin-1-ylacetic acid

C7H13NO3 — CID 83681022

IUPAC2-methoxy-2-pyrrolidin-1-ylacetic acid
SMILESCOC(C(=O)O)N1CCCC1
InChIInChI=1S/C7H13NO3/c1-11-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeySNPZZRNJEKWQOP-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.14
Rot. Bonds3

About 2-methoxy-2-pyrrolidin-1-ylacetic acid

2-methoxy-2-pyrrolidin-1-ylacetic acid (PubChem CID 83681022) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methoxy-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-methoxy-2-pyrrolidin-1-ylacetic acid
PubChem CID83681022
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-methoxy-2-pyrrolidin-1-ylacetic acid
SMILESCOC(C(=O)O)N1CCCC1
InChIInChI=1S/C7H13NO3/c1-11-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10)
InChIKeySNPZZRNJEKWQOP-UHFFFAOYSA-N
XLogP0.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-2-pyrrolidin-1-ylacetic acid
CID 9855506
2-[Carboxymethyl(ethyl)amino]-2-methoxyacetic acid
CID 54420994
Ethyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 57170246
(1-Methyl-pyrrolidin-3-yloxy)-acetic acid
CID 58492295
2,2-Dihydroxy-2-pyrrolidin-1-ylacetic acid
CID 68633223
Ethyl 2-methoxy-2-pyrrolidin-1-ylacetate
CID 69744773
Butyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 70341390
[Carboxy(methoxy)methyl]-trimethylazanium
CID 89358549
Methyl 2-hydroxy-2-pyrrolidin-1-ylacetate
CID 139781505
Methyl 2-hydroxy-2-[methyl(propyl)amino]acetate
CID 139781507
2-Methoxy-2-(2-oxopyrrolidin-1-yl)acetic acid
CID 141320304
2-(Azetidin-1-yl)-2-methoxyacetic acid
CID 149739046

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-methoxy-2-pyrrolidin-1-ylacetic acid (CID 83681022) is 2-methoxy-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-methoxy-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-methoxy-2-pyrrolidin-1-ylacetic acid is COC(C(=O)O)N1CCCC1.
What is the InChIKey of 2-methoxy-2-pyrrolidin-1-ylacetic acid?
The InChIKey is SNPZZRNJEKWQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-11-6(7(9)10)8-4-2-3-5-8/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-methoxy-2-pyrrolidin-1-ylacetic acid?
2-methoxy-2-pyrrolidin-1-ylacetic acid has a molecular weight of 159.19 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 83681022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).