methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate

C13H26N2O3 — CID 54939870

IUPACmethyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
SMILESCCN(CC)C(=O)CNC(CC(C)C)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-6-15(7-2)12(16)9-14-11(8-10(3)4)13(17)18-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZCDBHEZLLWPBAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.03
Rot. Bonds8

About methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate

methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate (PubChem CID 54939870) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
PubChem CID54939870
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate
SMILESCCN(CC)C(=O)CNC(CC(C)C)C(=O)OC
InChIInChI=1S/C13H26N2O3/c1-6-15(7-2)12(16)9-14-11(8-10(3)4)13(17)18-5/h10-11,14H,6-9H2,1-5H3
InChIKeyZCDBHEZLLWPBAV-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-4-methylpentanoate
CID 60692089
methyl 4-methyl-2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]pentanoate
CID 54940277
2-[[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]methyl]prop-2-enoic acid
CID 103245766
methyl 4-(diethylamino)-2-methyl-4-oxobutanoate
CID 66561990
methyl 2-[(3-chloro-2-methylprop-2-enyl)amino]-4-methylpentanoate
CID 106437639
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]amino]-4-methylpentanoate
CID 60696601
methyl 2-[(3-ethoxy-2-hydroxypropyl)amino]-4-methylpentanoate
CID 63934425
methyl 2-[[3-(diethylamino)-3-oxopropyl]amino]hexanoate
CID 103868418
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224
methyl 2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2914892
methyl 2-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]-4-methylpentanoate
CID 80547759

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate (CID 54939870) is methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate is CCN(CC)C(=O)CNC(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
The InChIKey is ZCDBHEZLLWPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-15(7-2)12(16)9-14-11(8-10(3)4)13(17)18-5/h10-11,14H,6-9H2,1-5H3.
What are the key properties of methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate?
methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate has a molecular weight of 258.36 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(diethylamino)-2-oxoethyl]amino]-4-methylpentanoate is sourced from PubChem (CID 54939870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).