1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid

C9H15NO4 — CID 60759443

IUPAC1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESCOCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-6-4-8(11)10-5-2-3-7(10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyCMONMIATCMLBLU-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.10
Rot. Bonds4

About 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid

1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 60759443) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
PubChem CID60759443
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid
SMILESCOCCC(=O)N1CCCC1C(=O)O
InChIInChI=1S/C9H15NO4/c1-14-6-4-8(11)10-5-2-3-7(10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyCMONMIATCMLBLU-UHFFFAOYSA-N
XLogP0.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
1-[2-(2-methoxyethoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 43355713
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
(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
N'-hydroxy-1-(3-methoxypropanoyl)pyrrolidine-2-carboximidamide
CID 77036476
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
tert-butyl (2S)-1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 81003896
1-(3-methoxypropanoyl)-3-methylpiperidine-2-carboxylic acid
CID 107069695
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid (CID 60759443) is 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid is COCCC(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CMONMIATCMLBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-6-4-8(11)10-5-2-3-7(10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid?
1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 60759443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).