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

C9H15NO4 — CID 63030606

IUPAC1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
SMILESCOCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-14-5-3-8(11)10-4-2-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyITBPWQHJFRVVHJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds4

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

1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63030606) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
PubChem CID63030606
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
SMILESCOCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C9H15NO4/c1-14-5-3-8(11)10-4-2-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyITBPWQHJFRVVHJ-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
1-[3-(2,2,2-trifluoroethoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63030408
1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
3-methoxy-1-piperidin-1-ylpropan-1-one
CID 15751929
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
ethyl 1-(3-methoxypropanoyl)piperidine-4-carboxylate
CID 62590796
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methoxypropan-1-one
CID 81483633
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 119355055
2-[1-(3-methoxypropanoyl)piperidin-4-yl]acetic acid
CID 79615303
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
1-pent-4-enoylpyrrolidine-3-carboxylic acid
CID 63030781

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid (CID 63030606) is 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid is COCCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is ITBPWQHJFRVVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-5-3-8(11)10-4-2-7(6-10)9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid?
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.04, 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-3-carboxylic acid is sourced from PubChem (CID 63030606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).