ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate

C11H21NO4 — CID 177138587

IUPACethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)NCCC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-16-10(14)8-11(2,3)12-7-6-9(13)15-4/h12H,5-8H2,1-4H3
InChIKeyJPFNHKHSJLJMDM-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.87
Rot. Bonds7

About ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate

ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate (PubChem CID 177138587) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Nameethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
PubChem CID177138587
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
SMILESCCOC(=O)CC(C)(C)NCCC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-16-10(14)8-11(2,3)12-7-6-9(13)15-4/h12H,5-8H2,1-4H3
InChIKeyJPFNHKHSJLJMDM-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-methyl-3-(propylamino)butanoate
CID 65236098
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]propanoate
CID 61218283
2-[(3-ethoxy-3-oxopropyl)amino]-2-methylpentanoic acid
CID 114991128
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779
ethyl 3-(cyanoamino)-3-methylbutanoate
CID 57008204
ethyl 3-methyl-3-(propylamino)pentanoate
CID 65235785
ethyl 3-[2-(tert-butylamino)ethylamino]propanoate
CID 107445555
methyl 4-(2-methylpentan-2-ylamino)butanoate
CID 115630932
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
ethyl 4-(ethylamino)-4-methylpentanoate
CID 89155983

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate?
The IUPAC name of ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate (CID 177138587) is ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate.
What is the SMILES notation for ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate?
The canonical SMILES for ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate is CCOC(=O)CC(C)(C)NCCC(=O)OC.
What is the InChIKey of ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate?
The InChIKey is JPFNHKHSJLJMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-16-10(14)8-11(2,3)12-7-6-9(13)15-4/h12H,5-8H2,1-4H3.
What are the key properties of ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate?
ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate has a molecular weight of 231.29 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate is sourced from PubChem (CID 177138587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).