methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate

C13H24N2O3 — CID 55159943

IUPACmethyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-11(9-13(16)17-2)15-4-3-12(10-15)14-5-7-18-8-6-14/h11-12H,3-10H2,1-2H3
InChIKeyKOUYNWNWZZRCNZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.34
Rot. Bonds4

About methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate

methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (PubChem CID 55159943) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
PubChem CID55159943
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C13H24N2O3/c1-11(9-13(16)17-2)15-4-3-12(10-15)14-5-7-18-8-6-14/h11-12H,3-10H2,1-2H3
InChIKeyKOUYNWNWZZRCNZ-UHFFFAOYSA-N
XLogP0.34
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
methyl 3-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]butanoate
CID 80552988
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
CID 63170571
2-(3-morpholin-4-ylpyrrolidin-1-yl)propanamide
CID 63171230
N-(3-methoxypropyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-amine
CID 63167885
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
N-[2-(3-morpholin-4-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167933
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
methyl 3-(2-ethylmorpholin-4-yl)butanoate
CID 43562857
methyl 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butanoate
CID 66391355

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (CID 55159943) is methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is COC(=O)CC(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The InChIKey is KOUYNWNWZZRCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-11(9-13(16)17-2)15-4-3-12(10-15)14-5-7-18-8-6-14/h11-12H,3-10H2,1-2H3.
What are the key properties of methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate has a molecular weight of 256.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 55159943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).