1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid

C11H20N2O2 — CID 62976763

IUPAC1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeySWMHEWYNALZMAO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.68
Rot. Bonds5

About 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid

1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid (PubChem CID 62976763) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
PubChem CID62976763
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
SMILESCCCNC1(C(=O)O)CCN(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15)
InChIKeySWMHEWYNALZMAO-UHFFFAOYSA-N
XLogP0.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid
CID 62977158
3-(2,2-dimethylmorpholin-4-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79655710
3-(4,4-dimethylazepan-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 79645417
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
CID 55141024
1-propan-2-yl-4-(propylamino)piperidine-4-carboxylic acid
CID 43754005
3-(1-oxo-1,4-thiazinan-4-yl)-1-(propylamino)cyclohexane-1-carboxylic acid
CID 79642295
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(propylamino)cyclopentane-1-carboxylic acid
CID 103538142
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
3-(4,4-dimethylpiperidin-1-yl)-1-(ethylamino)cyclopentane-1-carboxylic acid
CID 79651554
1-cyclopropyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984747
2-[1-cyclopropyl-3-(ethylamino)pyrrolidin-3-yl]acetamide
CID 65233617
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
CID 62975481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid (CID 62976763) is 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid is CCCNC1(C(=O)O)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is SWMHEWYNALZMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-6-12-11(10(14)15)5-7-13(8-11)9-3-4-9/h9,12H,2-8H2,1H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 212.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62976763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).