2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid

C14H28N2O3 — CID 106805855

IUPAC2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
SMILESCCC(CCCN(C)C1CCOCC1)(NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-14(15-2,13(17)18)8-5-9-16(3)12-6-10-19-11-7-12/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyWDUOOLOCOJUGFZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.33
Rot. Bonds8

About 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid

2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid (PubChem CID 106805855) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
PubChem CID106805855
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
SMILESCCC(CCCN(C)C1CCOCC1)(NC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-14(15-2,13(17)18)8-5-9-16(3)12-6-10-19-11-7-12/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyWDUOOLOCOJUGFZ-UHFFFAOYSA-N
XLogP1.33
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-(methylamino)-5-(oxan-4-yloxy)pentanoic acid
CID 106806746
2-ethyl-2-(ethylamino)-5-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 106805952
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(methylamino)pentanoic acid
CID 106805828
2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2,2-dimethyl-5-[methyl(oxan-4-yl)amino]pentanethioamide
CID 65260088
5-[(1,1-dioxothiolan-3-yl)-methylamino]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805880
2-methyl-2-(methylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64798141
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid (CID 106805855) is 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid is CCC(CCCN(C)C1CCOCC1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid?
The InChIKey is WDUOOLOCOJUGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-14(15-2,13(17)18)8-5-9-16(3)12-6-10-19-11-7-12/h12,15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid?
2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid is sourced from PubChem (CID 106805855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).