methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate

C11H20N2O3 — CID 103239088

IUPACmethyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-6-12-9(14)7-13-10(8-4-5-8)11(15)16-2/h8,10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyCCPCBYPCGLZQNE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.05
Rot. Bonds7

About methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate

methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate (PubChem CID 103239088) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
PubChem CID103239088
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
SMILESCCCNC(=O)CNC(C(=O)OC)C1CC1
InChIInChI=1S/C11H20N2O3/c1-3-6-12-9(14)7-13-10(8-4-5-8)11(15)16-2/h8,10,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyCCPCBYPCGLZQNE-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-cyclopropyl-2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]acetate
CID 103263241
methyl 2-(3-butoxypropylamino)-2-cyclopropylacetate
CID 103264717
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
2-[[(1R)-1-cycloheptylethyl]amino]-N-propylacetamide
CID 81393570
2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62696946
methyl 2-cyclopropyl-2-(4-hydroxybutylamino)acetate
CID 106842801
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
2-[(4-propan-2-ylcyclohexyl)amino]-N-propylacetamide
CID 62703314
methyl 2-cyclopropyl-2-(2-piperidin-1-ylethylamino)acetate
CID 103244360
methyl 2-cyclopropyl-2-[3-(diethylamino)propylamino]acetate
CID 103234575
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
2-(1-methoxypropan-2-ylamino)-N-propylacetamide
CID 43179596

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate (CID 103239088) is methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate is CCCNC(=O)CNC(C(=O)OC)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
The InChIKey is CCPCBYPCGLZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-6-12-9(14)7-13-10(8-4-5-8)11(15)16-2/h8,10,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate?
methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate has a molecular weight of 228.29 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 methyl 2-cyclopropyl-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate is sourced from PubChem (CID 103239088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).