1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate

C15H21NO3 — CID 650671

IUPAC1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)CN2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-12(11-16-8-3-4-9-16)19-15(17)13-6-5-7-14(10-13)18-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyMAVRKTGCKDPDJH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.34
Rot. Bonds5

About 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate

1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate (PubChem CID 650671) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate
PubChem CID650671
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OC(C)CN2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-12(11-16-8-3-4-9-16)19-15(17)13-6-5-7-14(10-13)18-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3
InChIKeyMAVRKTGCKDPDJH-UHFFFAOYSA-N
XLogP2.34
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate (CID 650671) is 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate is COc1cccc(C(=O)OC(C)CN2CCCC2)c1.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate?
The InChIKey is MAVRKTGCKDPDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12(11-16-8-3-4-9-16)19-15(17)13-6-5-7-14(10-13)18-2/h5-7,10,12H,3-4,8-9,11H2,1-2H3.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate?
1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-yl 3-methoxybenzoate is sourced from PubChem (CID 650671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).