3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

C15H28N2O4 — CID 103538142

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H28N2O4/c1-4-7-16-15(14(18)19)6-5-11(8-15)17-9-12(20-2)13(10-17)21-3/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyRMIZNCHULQDLHF-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.71
Rot. Bonds7

About 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid

3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (PubChem CID 103538142) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
PubChem CID103538142
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
SMILESCCCNC1(C(=O)O)CCC(N2CC(OC)C(OC)C2)C1
InChIInChI=1S/C15H28N2O4/c1-4-7-16-15(14(18)19)6-5-11(8-15)17-9-12(20-2)13(10-17)21-3/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyRMIZNCHULQDLHF-UHFFFAOYSA-N
XLogP0.71
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid (CID 103538142) is 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is CCCNC1(C(=O)O)CCC(N2CC(OC)C(OC)C2)C1.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
The InChIKey is RMIZNCHULQDLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-7-16-15(14(18)19)6-5-11(8-15)17-9-12(20-2)13(10-17)21-3/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid?
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103538142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).