ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate

C10H20N2O3 — CID 60671956

IUPACethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNC(C)C(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-12-8(2)10(14)11-3/h8,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyPMUOIALBNJFWSX-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.05
Rot. Bonds7

About ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate

ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate (PubChem CID 60671956) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
PubChem CID60671956
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nameethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCNC(C)C(=O)NC
InChIInChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-12-8(2)10(14)11-3/h8,12H,4-7H2,1-3H3,(H,11,14)
InChIKeyPMUOIALBNJFWSX-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 61464453
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 2-[[4-(methylamino)-4-oxobutyl]amino]propanoate
CID 63890128
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
ethyl 2-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64670192
ethyl 4-(2-chloropropanoylamino)butanoate
CID 64576746
methyl 2-[(3-ethoxy-3-oxopropyl)amino]propanoate
CID 61499632
ethyl 4-(1-cyclopropylpropylamino)butanoate
CID 64917599

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate (CID 60671956) is ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate is CCOC(=O)CCCNC(C)C(=O)NC.
What is the InChIKey of ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate?
The InChIKey is PMUOIALBNJFWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-15-9(13)6-5-7-12-8(2)10(14)11-3/h8,12H,4-7H2,1-3H3,(H,11,14).
What are the key properties of ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate?
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate has a molecular weight of 216.28 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate is sourced from PubChem (CID 60671956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).