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

C12H24N2O3 — CID 64709217

IUPAC2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(8-12(2,13)11(15)16)14(3)10-4-6-17-7-5-10/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVFFFKFVOBDAQNE-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.68
Rot. Bonds5

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

2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid (PubChem CID 64709217) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
PubChem CID64709217
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N(C)C1CCOCC1
InChIInChI=1S/C12H24N2O3/c1-9(8-12(2,13)11(15)16)14(3)10-4-6-17-7-5-10/h9-10H,4-8,13H2,1-3H3,(H,15,16)
InChIKeyVFFFKFVOBDAQNE-UHFFFAOYSA-N
XLogP0.68
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoate
CID 64710194
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
methyl 2-methyl-4-[methyl(oxan-4-yl)amino]-2-(propan-2-ylamino)pentanoate
CID 64709610
2-[methyl(oxan-4-yl)amino]pentan-3-one
CID 64868191
ethyl 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-3-yl)amino]pentanoate
CID 82735009
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-amino-2-methyl-4-[methyl-(3-methylcyclohexyl)amino]pentanamide
CID 64709478
4-[cycloheptyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64711759
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
CID 79810217
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid (CID 64709217) is 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid is CC(CC(C)(N)C(=O)O)N(C)C1CCOCC1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid?
The InChIKey is VFFFKFVOBDAQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(8-12(2,13)11(15)16)14(3)10-4-6-17-7-5-10/h9-10H,4-8,13H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid?
2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(oxan-4-yl)amino]pentanoic acid is sourced from PubChem (CID 64709217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).