3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C14H26N2O3 — CID 102784350

IUPAC3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC2CN(C(C)C)CCO2)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyFHLDCJGUGNSXRW-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.89
Rot. Bonds4

About 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 102784350) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID102784350
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(CC2CN(C(C)C)CCO2)C1C(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h10-13H,4-9H2,1-3H3,(H,17,18)
InChIKeyFHLDCJGUGNSXRW-UHFFFAOYSA-N
XLogP0.89
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 102784350) is 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid is CC1CCN(CC2CN(C(C)C)CCO2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FHLDCJGUGNSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)15-6-7-19-12(8-15)9-16-5-4-11(3)13(16)14(17)18/h10-13H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102784350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).