ethyl 4-(2-methoxypropylamino)-4-oxobutanoate

C10H19NO4 — CID 102694605

IUPACethyl 4-(2-methoxypropylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)OC
InChIInChI=1S/C10H19NO4/c1-4-15-10(13)6-5-9(12)11-7-8(2)14-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyWJBLKSUXMALANP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.48
Rot. Bonds7

About ethyl 4-(2-methoxypropylamino)-4-oxobutanoate

ethyl 4-(2-methoxypropylamino)-4-oxobutanoate (PubChem CID 102694605) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 4-(2-methoxypropylamino)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxypropylamino)-4-oxobutanoate
PubChem CID102694605
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 4-(2-methoxypropylamino)-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)OC
InChIInChI=1S/C10H19NO4/c1-4-15-10(13)6-5-9(12)11-7-8(2)14-3/h8H,4-7H2,1-3H3,(H,11,12)
InChIKeyWJBLKSUXMALANP-UHFFFAOYSA-N
XLogP0.48
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-methoxypropyl)pentanamide
CID 102694842
ethyl 4-(2-methylsulfanylpropylamino)-4-oxobutanoate
CID 115759444
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
2-ethoxy-N-(2-methoxypropyl)acetamide
CID 102701044
6-amino-4-ethyl-N-(2-methoxypropyl)hexanamide
CID 102694994
3-amino-N-(2-methoxypropyl)butanamide
CID 102695030
ethyl 5-methoxy-3-oxohexanoate
CID 58193892
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
CID 61243779
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
ethyl 4-(3-methylbutan-2-ylamino)-4-oxobutanoate
CID 60712403
ethyl 4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutanoate
CID 79030775

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxypropylamino)-4-oxobutanoate?
The IUPAC name of ethyl 4-(2-methoxypropylamino)-4-oxobutanoate (CID 102694605) is ethyl 4-(2-methoxypropylamino)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(2-methoxypropylamino)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(2-methoxypropylamino)-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(C)OC.
What is the InChIKey of ethyl 4-(2-methoxypropylamino)-4-oxobutanoate?
The InChIKey is WJBLKSUXMALANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-15-10(13)6-5-9(12)11-7-8(2)14-3/h8H,4-7H2,1-3H3,(H,11,12).
What are the key properties of ethyl 4-(2-methoxypropylamino)-4-oxobutanoate?
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate has a molecular weight of 217.26 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxypropylamino)-4-oxobutanoate is sourced from PubChem (CID 102694605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).