1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid

C13H22N2O3 — CID 55141024

IUPAC1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)13(14-8-11-2-1-7-18-11)5-6-15(9-13)10-3-4-10/h10-11,14H,1-9H2,(H,16,17)
InChIKeyYLDILMIBKXMNCU-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.45
Rot. Bonds5

About 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid

1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid (PubChem CID 55141024) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
PubChem CID55141024
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCN(C2CC2)C1
InChIInChI=1S/C13H22N2O3/c16-12(17)13(14-8-11-2-1-7-18-11)5-6-15(9-13)10-3-4-10/h10-11,14H,1-9H2,(H,16,17)
InChIKeyYLDILMIBKXMNCU-UHFFFAOYSA-N
XLogP0.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
1-cyclopropyl-3-(propylamino)pyrrolidine-3-carboxylic acid
CID 62976763
1-cyclopropyl-3-(prop-2-ynylamino)pyrrolidine-3-carboxylic acid
CID 62977158
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
1-N,1-N-dimethyl-4-(oxolan-2-ylmethylamino)piperidine-1,4-dicarboxamide
CID 83269183
[1-(oxolan-2-ylmethylamino)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanol
CID 82856515
1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 81167545
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
1-[[(2S)-oxan-2-yl]methylamino]cyclohexane-1-carboxamide
CID 97222999
methyl 4-(oxolan-2-ylmethylamino)piperidine-4-carboxylate
CID 61243560

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid (CID 55141024) is 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid is O=C(O)C1(NCC2CCCO2)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid?
The InChIKey is YLDILMIBKXMNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-12(17)13(14-8-11-2-1-7-18-11)5-6-15(9-13)10-3-4-10/h10-11,14H,1-9H2,(H,16,17).
What are the key properties of 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxolan-2-ylmethylamino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55141024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).