ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate

C15H29N3O3 — CID 63171014

IUPACethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(N2CCOCC2)C1)NC
InChIInChI=1S/C15H29N3O3/c1-3-21-15(19)14(16-2)5-7-17-6-4-13(12-17)18-8-10-20-11-9-18/h13-14,16H,3-12H2,1-2H3
InChIKeyRNYLJKJEEWNIPM-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.07
Rot. Bonds7

About ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate

ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (PubChem CID 63171014) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
PubChem CID63171014
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nameethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(CCN1CCC(N2CCOCC2)C1)NC
InChIInChI=1S/C15H29N3O3/c1-3-21-15(19)14(16-2)5-7-17-6-4-13(12-17)18-8-10-20-11-9-18/h13-14,16H,3-12H2,1-2H3
InChIKeyRNYLJKJEEWNIPM-UHFFFAOYSA-N
XLogP-0.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 55160526
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
N-methyl-6-(3-morpholin-4-ylpyrrolidin-1-yl)hexan-2-amine
CID 63169704
2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanamide
CID 55159335
2-amino-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoic acid
CID 63171453
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
2-(ethylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-ol
CID 64791294
ethyl (E)-4-(3-morpholin-4-ylpyrrolidin-1-yl)but-2-enoate
CID 80549488
N-methyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-2-amine
CID 63169568
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate (CID 63171014) is ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is CCOC(=O)C(CCN1CCC(N2CCOCC2)C1)NC.
What is the InChIKey of ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
The InChIKey is RNYLJKJEEWNIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-3-21-15(19)14(16-2)5-7-17-6-4-13(12-17)18-8-10-20-11-9-18/h13-14,16H,3-12H2,1-2H3.
What are the key properties of ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate?
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate has a molecular weight of 299.41 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 63171014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).