ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate

C12H23NO4 — CID 83043139

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

About ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate

ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate (PubChem CID 83043139) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
PubChem CID83043139
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CCC(=O)OC
InChIInChI=1S/C12H23NO4/c1-5-7-10(12(15)17-6-2)13(3)9-8-11(14)16-4/h10H,5-9H2,1-4H3
InChIKeyYIFLUDSFWDHUOH-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

methyl 3-[methyl(pentan-2-yl)amino]propanoate
CID 43430775
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
ethyl 2-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330797
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
methyl 3-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]propanoate
CID 63948089
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
CID 83049338
methyl 4-(dimethylamino)heptanoate
CID 116910261
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl 2-[methyl-[2-(methylamino)ethyl]amino]butanoate
CID 64663599
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate?
The IUPAC name of ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate (CID 83043139) is ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate.
What is the SMILES notation for ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate?
The canonical SMILES for ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate is CCCC(C(=O)OCC)N(C)CCC(=O)OC.
What is the InChIKey of ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate?
The InChIKey is YIFLUDSFWDHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-5-7-10(12(15)17-6-2)13(3)9-8-11(14)16-4/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate?
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate 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 ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate is sourced from PubChem (CID 83043139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).