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

C14H28N2O3 — CID 63711272

IUPAC2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCNC(C)(CCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18)7-4-8-16(3)11-12-5-9-19-10-6-12/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyIYSUEJWPIPTBDQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.19
Rot. Bonds8

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

2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (PubChem CID 63711272) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
PubChem CID63711272
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
SMILESCNC(C)(CCCN(C)CC1CCOCC1)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-14(15-2,13(17)18)7-4-8-16(3)11-12-5-9-19-10-6-12/h12,15H,4-11H2,1-3H3,(H,17,18)
InChIKeyIYSUEJWPIPTBDQ-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexanoic acid
CID 63711791
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-4-ylmethyl)amino]butanoate
CID 63711102
2-ethyl-2-(ethylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid
CID 106806277
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
2-methyl-2-(methylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoic acid
CID 55226445
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
ethyl 2-methyl-2-(methylamino)-5-[methyl(oxan-3-ylmethyl)amino]pentanoate
CID 63711443
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
2-methyl-2-(methylamino)-5-(oxolan-3-yloxy)pentanoic acid
CID 63557693
4-[[methyl-[2-(oxan-4-yl)ethyl]amino]methyl]cyclohexan-1-ol
CID 115239955
1-amino-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-2-ol
CID 64819145

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid (CID 63711272) is 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is CNC(C)(CCCN(C)CC1CCOCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
The InChIKey is IYSUEJWPIPTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-14(15-2,13(17)18)7-4-8-16(3)11-12-5-9-19-10-6-12/h12,15H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid?
2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-5-[methyl(oxan-4-ylmethyl)amino]pentanoic acid is sourced from PubChem (CID 63711272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).