ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate

C11H22N2O3 — CID 82836304

IUPACethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-7-9(11(15)16-6-2)13(4)8-10(14)12-3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyURTSWIWEVWEKDQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.40
Rot. Bonds7

About ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate

ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate (PubChem CID 82836304) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
PubChem CID82836304
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CC(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-7-9(11(15)16-6-2)13(4)8-10(14)12-3/h9H,5-8H2,1-4H3,(H,12,14)
InChIKeyURTSWIWEVWEKDQ-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]hexanoate
CID 115868845
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
ethyl N-methyl-N-[2-(methylamino)-2-oxoethyl]carbamate
CID 60652010
2-[[(2R)-1-aminopropan-2-yl]-methylamino]-N-methylacetamide
CID 131227452
ethyl 2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]butanoate
CID 64661878
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
CID 79974219
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
CID 83049338
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
ethyl 4-[methyl-[2-(methylamino)-2-oxoethyl]amino]-4-oxobutanoate
CID 60659458
2-[(1-hydrazinyl-3-methoxy-1-oxopropan-2-yl)-methylamino]-N-methylacetamide
CID 103229508
N-methyl-2-[methyl(propan-2-yl)amino]acetamide
CID 89311183
methyl (2R)-2-[chloro(methyl)amino]pentanoate
CID 137490579

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate?
The IUPAC name of ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate (CID 82836304) is ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate.
What is the SMILES notation for ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate?
The canonical SMILES for ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate is CCCC(C(=O)OCC)N(C)CC(=O)NC.
What is the InChIKey of ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate?
The InChIKey is URTSWIWEVWEKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-7-9(11(15)16-6-2)13(4)8-10(14)12-3/h9H,5-8H2,1-4H3,(H,12,14).
What are the key properties of ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate?
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate has a molecular weight of 230.31 g/mol, XLogP of 0.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate is sourced from PubChem (CID 82836304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).