1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid

C11H19NO5 — CID 119356993

IUPAC1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H19NO5/c1-16-7-8-17-6-4-10(13)12-5-2-3-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeySRFVERVBMOQGON-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.12
Rot. Bonds7

About 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119356993) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119356993
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCOCCOCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H19NO5/c1-16-7-8-17-6-4-10(13)12-5-2-3-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15)
InChIKeySRFVERVBMOQGON-UHFFFAOYSA-N
XLogP0.12
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 60759443
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
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-(2-methoxyethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 78921993
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
(2R)-1-[4-(2-methoxyethoxy)butylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860990
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 119356993) is 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid is COCCOCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SRFVERVBMOQGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-7-8-17-6-4-10(13)12-5-2-3-9(12)11(14)15/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119356993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).