1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid

C8H13NO4 — CID 16773864

IUPAC1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESCOCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-5-7(10)9-4-2-3-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFWRWEUVVHSNRGE-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds3

About 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid

1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 16773864) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID16773864
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESCOCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C8H13NO4/c1-13-5-7(10)9-4-2-3-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyFWRWEUVVHSNRGE-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
(2S)-1-[2-(4-methoxy-4-oxobut-2-enoyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 66619116
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
(2R)-1-[2-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54367996
(2S)-1-(2-methylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 13208313

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid (CID 16773864) is 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid is COCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is FWRWEUVVHSNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-5-7(10)9-4-2-3-6(9)8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid?
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 16773864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).