2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid

C14H28N2O3 — CID 106806273

IUPAC2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC1CCCOC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-14(15,13(17)18)7-5-8-16(2)10-12-6-4-9-19-11-12/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyWCUQKAVAFRHENA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.32
Rot. Bonds8

About 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid

2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid (PubChem CID 106806273) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
PubChem CID106806273
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid
SMILESCCC(N)(CCCN(C)CC1CCCOC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-3-14(15,13(17)18)7-5-8-16(2)10-12-6-4-9-19-11-12/h12H,3-11,15H2,1-2H3,(H,17,18)
InChIKeyWCUQKAVAFRHENA-UHFFFAOYSA-N
XLogP1.32
TPSA75.79 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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
2-amino-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanamide
CID 55226248
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
2-amino-2-methyl-3-[methyl(oxan-3-ylmethyl)amino]propanoic acid
CID 63712672
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
methyl 2-(ethylamino)-2-methyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711958
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
4-[methyl(oxan-3-ylmethyl)amino]-1-phenylbutan-1-one
CID 63712078
2-methyl-5-[methyl(oxan-3-ylmethyl)amino]-2-(propylamino)pentan-1-ol
CID 64791814
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid (CID 106806273) is 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid is CCC(N)(CCCN(C)CC1CCCOC1)C(=O)O.
What is the InChIKey of 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid?
The InChIKey is WCUQKAVAFRHENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-14(15,13(17)18)7-5-8-16(2)10-12-6-4-9-19-11-12/h12H,3-11,15H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid?
2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-[methyl(oxan-3-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 106806273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).