methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

C14H23NO3 — CID 531446

IUPACmethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-7-4-10-15(12)13(16)9-8-11-5-2-3-6-11/h11-12H,2-10H2,1H3
InChIKeyVGIIPOBEENRBLB-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.12
Rot. Bonds4

About methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate

methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 531446) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID531446
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Namemethyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)CCC1CCCC1
InChIInChI=1S/C14H23NO3/c1-18-14(17)12-7-4-10-15(12)13(16)9-8-11-5-2-3-6-11/h11-12H,2-10H2,1H3
InChIKeyVGIIPOBEENRBLB-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate (CID 531446) is methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)CCC1CCCC1.
What is the InChIKey of methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is VGIIPOBEENRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-18-14(17)12-7-4-10-15(12)13(16)9-8-11-5-2-3-6-11/h11-12H,2-10H2,1H3.
What are the key properties of methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate?
methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 253.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 531446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).