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

C13H24N2O3 — CID 64532739

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCOC(CN2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyJYZZAELRHMOAMW-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.50
Rot. Bonds4

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

1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 64532739) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID64532739
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)N1CCOC(CN2CCC(C(=O)O)C2)C1
InChIInChI=1S/C13H24N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17)
InChIKeyJYZZAELRHMOAMW-UHFFFAOYSA-N
XLogP0.50
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
4-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-amine
CID 64532750
3-ethyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-4-amine
CID 81458873
1-[(4-methylmorpholin-2-yl)methyl]piperidine-4-carboxylic acid
CID 79182775
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
3-methyl-1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784350
2-[[3-(chloromethyl)piperidin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 64534748
4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazine-1-sulfonamide
CID 124565728
1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
CID 64532551
(2S)-2-[[4-(2,2-dimethylpropyl)piperazin-1-yl]methyl]-4-propan-2-ylmorpholine
CID 153485962
2-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanamine
CID 64532949

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 64532739) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid is CC(C)N1CCOC(CN2CCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JYZZAELRHMOAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)15-5-6-18-12(9-15)8-14-4-3-11(7-14)13(16)17/h10-12H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64532739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).