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

C13H26N2O3 — CID 62011369

IUPACmethyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)N(CC)CC
InChIInChI=1S/C13H26N2O3/c1-6-9-15(10-12(16)18-5)11(4)13(17)14(7-2)8-3/h11H,6-10H2,1-5H3
InChIKeyMTIWXHZQKHHZFI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.13
Rot. Bonds8

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

methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate (PubChem CID 62011369) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
PubChem CID62011369
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)C(C)C(=O)N(CC)CC
InChIInChI=1S/C13H26N2O3/c1-6-9-15(10-12(16)18-5)11(4)13(17)14(7-2)8-3/h11H,6-10H2,1-5H3
InChIKeyMTIWXHZQKHHZFI-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
methyl 2-[[1-(butylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62010774
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62012910
methyl 3-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]propanoate
CID 62011281
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-propylamino]acetate
CID 62011561
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
methyl 2-[(3-chloro-2-methylpropanoyl)-ethylamino]acetate
CID 62728356
methyl 2-[1-cyanopropyl(propyl)amino]acetate
CID 62012139
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
3-[ethyl-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]-2-methylpropanoic acid
CID 62853214
methyl 2-[ethyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]acetate
CID 62011390

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The IUPAC name of methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate (CID 62011369) is methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate is CCCN(CC(=O)OC)C(C)C(=O)N(CC)CC.
What is the InChIKey of methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
The InChIKey is MTIWXHZQKHHZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-9-15(10-12(16)18-5)11(4)13(17)14(7-2)8-3/h11H,6-10H2,1-5H3.
What are the key properties of methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate?
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate has a molecular weight of 258.36 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-propylamino]acetate is sourced from PubChem (CID 62011369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).