methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate

C12H22N2O3 — CID 62011161

IUPACmethyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(9-12(16)17-3)8-11(15)13(2)10-5-6-10/h10H,4-9H2,1-3H3
InChIKeyYNJMYIPPHHXJCC-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.49
Rot. Bonds7

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

methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate (PubChem CID 62011161) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
PubChem CID62011161
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
SMILESCCCN(CC(=O)OC)CC(=O)N(C)C1CC1
InChIInChI=1S/C12H22N2O3/c1-4-7-14(9-12(16)17-3)8-11(15)13(2)10-5-6-10/h10H,4-9H2,1-3H3
InChIKeyYNJMYIPPHHXJCC-UHFFFAOYSA-N
XLogP0.49
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 80710059
3-[ethyl-[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61010939
ethyl 3-[cyclobutyl(methyl)amino]-3-oxopropanoate
CID 115138534
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
2-[[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 78816919
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 4-[cyclohexyl(methyl)amino]-4-oxobutanoate
CID 115174643
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
N-cyclohexyl-2-[2-hydroxyethyl(2-methoxyethyl)amino]-N-methylacetamide
CID 115613753
N-cyclopropyl-N-methyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 54957401
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate (CID 62011161) is methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate is CCCN(CC(=O)OC)CC(=O)N(C)C1CC1.
What is the InChIKey of methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
The InChIKey is YNJMYIPPHHXJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-7-14(9-12(16)17-3)8-11(15)13(2)10-5-6-10/h10H,4-9H2,1-3H3.
What are the key properties of methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate?
methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate is sourced from PubChem (CID 62011161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).