methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate

C11H21NO4 — CID 62026047

IUPACmethyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCN(CCC(=O)OC)C(C)CC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-12(7-6-10(13)15-3)9(2)8-11(14)16-4/h9H,5-8H2,1-4H3
InChIKeyDXRDYRUPYHHYNA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.82
Rot. Bonds7

About methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate

methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate (PubChem CID 62026047) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
PubChem CID62026047
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Namemethyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate
SMILESCCN(CCC(=O)OC)C(C)CC(=O)OC
InChIInChI=1S/C11H21NO4/c1-5-12(7-6-10(13)15-3)9(2)8-11(14)16-4/h9H,5-8H2,1-4H3
InChIKeyDXRDYRUPYHHYNA-UHFFFAOYSA-N
XLogP0.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-methoxyethyl-(3-methoxy-3-oxopropyl)amino]butanoate
CID 113330781
methyl 3-[[1-(dimethylamino)-1-oxopropan-2-yl]-ethylamino]propanoate
CID 55208158
methyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]butanoate
CID 61448932
methyl 3-[[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-(3-methoxy-3-oxopropyl)amino]propanoate
CID 90208676
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
methyl 3-(diethylamino)-4-hydroxybutanoate
CID 105443683
dimethyl (2S)-2-(diethylamino)butanedioate
CID 7060831
methyl 3-[ethyl(2-hydroxypropyl)amino]propanoate
CID 62026208
tert-butyl 3-[ethyl(1-methoxypropan-2-yl)amino]propanoate
CID 115590874
methyl 3,4-dimethylpentanoate
CID 554058
methyl 3-[ethyl-(4-propan-2-ylbenzoyl)amino]propanoate
CID 61008740
N,N-dimethylmethanamine;methyl 3-hydroxybutanoate
CID 174690053

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The IUPAC name of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate (CID 62026047) is methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate.
What is the SMILES notation for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The canonical SMILES for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate is CCN(CCC(=O)OC)C(C)CC(=O)OC.
What is the InChIKey of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
The InChIKey is DXRDYRUPYHHYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-12(7-6-10(13)15-3)9(2)8-11(14)16-4/h9H,5-8H2,1-4H3.
What are the key properties of methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate?
methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate has a molecular weight of 231.29 g/mol, XLogP of 0.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(3-methoxy-3-oxopropyl)amino]butanoate is sourced from PubChem (CID 62026047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).