ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate

C14H28N2O3 — CID 82841783

IUPACethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(=O)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-6-9-12(14(18)19-8-3)16(7-2)10-13(17)15-11(4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyLCFSSGZOZVRUTM-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.56
Rot. Bonds9

About ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate

ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate (PubChem CID 82841783) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
PubChem CID82841783
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC)CC(=O)NC(C)C
InChIInChI=1S/C14H28N2O3/c1-6-9-12(14(18)19-8-3)16(7-2)10-13(17)15-11(4)5/h11-12H,6-10H2,1-5H3,(H,15,17)
InChIKeyLCFSSGZOZVRUTM-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-2-oxoethyl)-ethylamino]pentanoate
CID 103102891
ethyl 2-[ethyl(2-hydroxyethyl)amino]pentanoate
CID 115282631
2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
CID 55214049
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
ethyl 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanoate
CID 82840562
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 83042024
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
diethyl 2-[3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propyl]propanedioate
CID 136571931
ethyl 2-[bis(2-methoxyethyl)amino]pentanoate
CID 10912289
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate?
The IUPAC name of ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate (CID 82841783) is ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate.
What is the SMILES notation for ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate?
The canonical SMILES for ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate is CCCC(C(=O)OCC)N(CC)CC(=O)NC(C)C.
What is the InChIKey of ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate?
The InChIKey is LCFSSGZOZVRUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-9-12(14(18)19-8-3)16(7-2)10-13(17)15-11(4)5/h11-12H,6-10H2,1-5H3,(H,15,17).
What are the key properties of ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate?
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate is sourced from PubChem (CID 82841783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).