methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate

C15H30N2O3 — CID 62010902

IUPACmethyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)9-17(10-13(3)4)14(18)11-16(5)8-7-15(19)20-6/h12-13H,7-11H2,1-6H3
InChIKeyZFULNHQTVFNFNW-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.62
Rot. Bonds9

About methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate

methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate (PubChem CID 62010902) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
PubChem CID62010902
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Namemethyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H30N2O3/c1-12(2)9-17(10-13(3)4)14(18)11-16(5)8-7-15(19)20-6/h12-13H,7-11H2,1-6H3
InChIKeyZFULNHQTVFNFNW-UHFFFAOYSA-N
XLogP1.62
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119911794
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[4-hydroxybutanoyl(2-methylpropyl)amino]propanoate
CID 79203299
methyl 3-[[2-(cyclopentylamino)acetyl]-(2-methylpropyl)amino]propanoate
CID 60947713
methyl 3-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]propanoate
CID 79012450
methyl 3-[(2-chloro-2-fluoroacetyl)-(2-methylpropyl)amino]propanoate
CID 166334711
methyl 3-[methyl(3-methylbutanoyl)amino]propanoate
CID 61028943
cis-(1S,2R)-2-[(3-methoxy-3-oxopropyl)-(2-methylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93378828
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
CID 52663836
methyl 3-[formyl(2-methylpropyl)amino]propanoate
CID 64992915
methyl 3-[2-methylpropyl(2,2,3,3-tetrafluoropropanoyl)amino]propanoate
CID 103733048
methyl 3-[[2-[(4-acetamidophenyl)sulfonyl-methylamino]acetyl]-(2-methylpropyl)amino]propanoate
CID 55819970

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate (CID 62010902) is methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate is COC(=O)CCN(C)CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate?
The InChIKey is ZFULNHQTVFNFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(2)9-17(10-13(3)4)14(18)11-16(5)8-7-15(19)20-6/h12-13H,7-11H2,1-6H3.
What are the key properties of methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate?
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate has a molecular weight of 286.42 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate is sourced from PubChem (CID 62010902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).