methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate

C13H26N2O3 — CID 61035559

IUPACmethyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NC(CC)CC)CC(=O)OC
InChIInChI=1S/C13H26N2O3/c1-5-8-15(10-13(17)18-4)9-12(16)14-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyMCHYLHCDTMNERX-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.18
Rot. Bonds9

About methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate

methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate (PubChem CID 61035559) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
PubChem CID61035559
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Namemethyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
SMILESCCCN(CC(=O)NC(CC)CC)CC(=O)OC
InChIInChI=1S/C13H26N2O3/c1-5-8-15(10-13(17)18-4)9-12(16)14-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,16)
InChIKeyMCHYLHCDTMNERX-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(heptan-2-ylamino)-2-oxoethyl]-propylamino]acetate
CID 62012334
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
2-[2-(dimethylamino)ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 107426068
methyl 2-[[2-(tert-butylcarbamoylamino)-2-oxoethyl]-propylamino]acetate
CID 62013300
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 2-[2-cyanopropyl(propyl)amino]acetate
CID 62013506
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate?
The IUPAC name of methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate (CID 61035559) is methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate.
What is the SMILES notation for methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate?
The canonical SMILES for methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate is CCCN(CC(=O)NC(CC)CC)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate?
The InChIKey is MCHYLHCDTMNERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-8-15(10-13(17)18-4)9-12(16)14-11(6-2)7-3/h11H,5-10H2,1-4H3,(H,14,16).
What are the key properties of methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate?
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate has a molecular weight of 258.36 g/mol, XLogP of 1.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate is sourced from PubChem (CID 61035559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).