methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate

C12H23NO4 — CID 18914281

IUPACmethyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
SMILESCCCN(CCC(=O)OC)C(CC)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-5-8-13(9-7-11(14)16-3)10(6-2)12(15)17-4/h10H,5-9H2,1-4H3
InChIKeyQXOSMYKNXMZWGI-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.21
Rot. Bonds8

About methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate

methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate (PubChem CID 18914281) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
PubChem CID18914281
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate
SMILESCCCN(CCC(=O)OC)C(CC)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-5-8-13(9-7-11(14)16-3)10(6-2)12(15)17-4/h10H,5-9H2,1-4H3
InChIKeyQXOSMYKNXMZWGI-UHFFFAOYSA-N
XLogP1.21
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
methyl (2R)-2-(diethylamino)butanoate
CID 30030921
ethyl 2-[2-hydroxyethyl(propyl)amino]butanoate
CID 64663015
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208676
methyl 2-(dimethylamino)butanoate
CID 14644900
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 62026047
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
methyl 2-[1-cyanopropyl(propyl)amino]acetate
CID 62012139
methyl 2-[bis(3-sulfanylidenebutyl)amino]-4-oxobutanoate
CID 175837539
ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate?
The IUPAC name of methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate (CID 18914281) is methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate.
What is the SMILES notation for methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate?
The canonical SMILES for methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate is CCCN(CCC(=O)OC)C(CC)C(=O)OC.
What is the InChIKey of methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate?
The InChIKey is QXOSMYKNXMZWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-8-13(9-7-11(14)16-3)10(6-2)12(15)17-4/h10H,5-9H2,1-4H3.
What are the key properties of methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate?
methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate has a molecular weight of 245.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxy-3-oxopropyl)-propylamino]butanoate is sourced from PubChem (CID 18914281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).