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

C16H30N2O3 — CID 64532551

IUPAC1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CN(C(C)C)CCO2)C1
InChIInChI=1S/C16H30N2O3/c1-4-5-16(15(19)20)6-7-17(12-16)10-14-11-18(13(2)3)8-9-21-14/h13-14H,4-12H2,1-3H3,(H,19,20)
InChIKeyXFXYXFJTIMNNLW-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.67
Rot. Bonds6

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

1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 64532551) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
PubChem CID64532551
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC2CN(C(C)C)CCO2)C1
InChIInChI=1S/C16H30N2O3/c1-4-5-16(15(19)20)6-7-17(12-16)10-14-11-18(13(2)3)8-9-21-14/h13-14H,4-12H2,1-3H3,(H,19,20)
InChIKeyXFXYXFJTIMNNLW-UHFFFAOYSA-N
XLogP1.67
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxolan-2-yl)ethyl]-3-propylpyrrolidine-3-carboxylic acid
CID 65162258
8-[(4-propan-2-ylmorpholin-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 78994145
1-[(4-propan-2-ylmorpholin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64532739
1-[1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidin-3-yl]ethanone
CID 64532918
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989
methyl 4-[(4-propan-2-ylmorpholin-2-yl)methyl]morpholine-2-carboxylate
CID 115537318
methyl 1-[(4-propan-2-ylmorpholin-2-yl)methyl]piperidine-4-carboxylate
CID 64533750
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
4-propan-2-yl-2-propylmorpholine
CID 118118152
1-(3-methylbutan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65064430
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(1-amino-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148765

Frequently Asked Questions

What is the IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid (CID 64532551) is 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CC2CN(C(C)C)CCO2)C1.
What is the InChIKey of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is XFXYXFJTIMNNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-5-16(15(19)20)6-7-17(12-16)10-14-11-18(13(2)3)8-9-21-14/h13-14H,4-12H2,1-3H3,(H,19,20).
What are the key properties of 1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid?
1-[(4-propan-2-ylmorpholin-2-yl)methyl]-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 298.43 g/mol, XLogP of 1.67, 6 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]-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 64532551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).