methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate

C12H22N2O3 — CID 63170571

IUPACmethyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-10(12(15)16-2)14-4-3-11(9-14)13-5-7-17-8-6-13/h10-11H,3-9H2,1-2H3
InChIKeyBZIYBBNMNMABQI-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.05
Rot. Bonds3

About methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate

methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate (PubChem CID 63170571) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
PubChem CID63170571
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate
SMILESCOC(=O)C(C)N1CCC(N2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-10(12(15)16-2)14-4-3-11(9-14)13-5-7-17-8-6-13/h10-11H,3-9H2,1-2H3
InChIKeyBZIYBBNMNMABQI-UHFFFAOYSA-N
XLogP-0.05
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-morpholin-4-ylpyrrolidin-1-yl)propanamide
CID 63171230
methyl 3-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55159943
methyl (2R)-2-morpholin-4-ylpropanoate
CID 30030777
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
methyl 2-(3-hydroxypyrrolidin-1-yl)propanoate
CID 62918498
methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
methyl 2-methyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 79413832
methyl 2-(3-piperazin-1-ylazetidin-1-yl)propanoate
CID 66196191
4-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 63167863
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)propanoate
CID 115314462
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
4-amino-N,N-dimethyl-3-(3-morpholin-4-ylpyrrolidin-1-yl)butanamide
CID 66432282

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate?
The IUPAC name of methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate (CID 63170571) is methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate is COC(=O)C(C)N1CCC(N2CCOCC2)C1.
What is the InChIKey of methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate?
The InChIKey is BZIYBBNMNMABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(12(15)16-2)14-4-3-11(9-14)13-5-7-17-8-6-13/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate?
methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate has a molecular weight of 242.32 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-morpholin-4-ylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 63170571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).