1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid

C10H17NO5 — CID 43355713

IUPAC1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-15-5-6-16-7-9(12)11-4-2-3-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyCGYUJEFPMVSPLF-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.28
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355713) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43355713
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C10H17NO5/c1-15-5-6-16-7-9(12)11-4-2-3-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyCGYUJEFPMVSPLF-UHFFFAOYSA-N
XLogP-0.28
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2R)-1-[3-[[3-[(2R)-2-carboxypyrrolidin-1-yl]-3-oxopropyl]-(2-methoxyethyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 54367996
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[2-(2-aminoethoxy)acetyl]piperidine-2-carboxylic acid
CID 79479882
2-(2-methoxyethoxy)-1-(2-methylpyrrolidin-1-yl)ethanone
CID 103709661
(2R)-1-[2-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethoxy)ethanone
CID 66261434
4-[2-(2-methoxyethoxy)acetyl]thiomorpholine-3-carboxylic acid
CID 82900985
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid (CID 43355713) is 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid is COCCOCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is CGYUJEFPMVSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-5-6-16-7-9(12)11-4-2-3-8(11)10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).