methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate

C12H24N2O4 — CID 62012910

IUPACmethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)NCCOC
InChIInChI=1S/C12H24N2O4/c1-5-7-14(9-11(15)18-4)10(2)12(16)13-6-8-17-3/h10H,5-9H2,1-4H3,(H,13,16)
InChIKeyBCMJHUZAWYURJZ-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.02
Rot. Bonds9

About methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate

methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate (PubChem CID 62012910) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
PubChem CID62012910
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Namemethyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)NCCOC
InChIInChI=1S/C12H24N2O4/c1-5-7-14(9-11(15)18-4)10(2)12(16)13-6-8-17-3/h10H,5-9H2,1-4H3,(H,13,16)
InChIKeyBCMJHUZAWYURJZ-UHFFFAOYSA-N
XLogP0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953645
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
ethyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62026762
ethyl 2-[[1-oxo-1-(pentylamino)propan-2-yl]-propylamino]acetate
CID 62026570
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011369
methyl 2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]acetate
CID 61067688
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
2-[2-aminoethyl(propyl)amino]-N-propylpropanamide
CID 61349368

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The IUPAC name of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate (CID 62012910) is methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate is CCCN(CC(=O)OC)C(C)C(=O)NCCOC.
What is the InChIKey of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The InChIKey is BCMJHUZAWYURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-7-14(9-11(15)18-4)10(2)12(16)13-6-8-17-3/h10H,5-9H2,1-4H3,(H,13,16).
What are the key properties of methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate has a molecular weight of 260.33 g/mol, XLogP of 0.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate is sourced from PubChem (CID 62012910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).