ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate

C13H25NO3 — CID 83049005

IUPACethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCOC1C
InChIInChI=1S/C13H25NO3/c1-5-7-12(13(15)16-6-2)14(4)11-8-9-17-10(11)3/h10-12H,5-9H2,1-4H3
InChIKeyNAVQESYIILYAMG-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate

ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate (PubChem CID 83049005) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
PubChem CID83049005
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)C1CCOC1C
InChIInChI=1S/C13H25NO3/c1-5-7-12(13(15)16-6-2)14(4)11-8-9-17-10(11)3/h10-12H,5-9H2,1-4H3
InChIKeyNAVQESYIILYAMG-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[methyl-(2-methyloxolan-3-yl)amino]butanoate
CID 82769885
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
(2S)-2-amino-N,3-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738020
ethyl 2-[(1-ethylpiperidin-4-yl)-methylamino]pentanoate
CID 83040877
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
2-cyano-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82738802
2-(N'-hydroxycarbamimidoyl)-N-methyl-N-(2-methyloxolan-3-yl)pentanamide
CID 82749018
(2S)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]pentanoic acid
CID 107567425
5-amino-N-methyl-N-(2-methyloxolan-3-yl)hexanamide
CID 82853868
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate?
The IUPAC name of ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate (CID 83049005) is ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate?
The canonical SMILES for ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate is CCCC(C(=O)OCC)N(C)C1CCOC1C.
What is the InChIKey of ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate?
The InChIKey is NAVQESYIILYAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-7-12(13(15)16-6-2)14(4)11-8-9-17-10(11)3/h10-12H,5-9H2,1-4H3.
What are the key properties of ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate?
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate has a molecular weight of 243.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate is sourced from PubChem (CID 83049005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).