2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid

C12H23NO3 — CID 114996677

IUPAC2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
SMILESCCC(C)(C(=O)O)N(C)CC1CCCCO1
InChIInChI=1S/C12H23NO3/c1-4-12(2,11(14)15)13(3)9-10-7-5-6-8-16-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyQUZMZCIDXWLVAY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds5

About 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid

2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid (PubChem CID 114996677) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
PubChem CID114996677
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid
SMILESCCC(C)(C(=O)O)N(C)CC1CCCCO1
InChIInChI=1S/C12H23NO3/c1-4-12(2,11(14)15)13(3)9-10-7-5-6-8-16-10/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyQUZMZCIDXWLVAY-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
2-[cyclopentyl(methyl)amino]-2-methylbutanoic acid
CID 82238511
2-(aminomethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)butanamide
CID 113270028
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
3-methyl-3-[methyl-[2-(oxan-2-yl)acetyl]amino]butanoic acid
CID 110837566
N-(2-methylbutan-2-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825153
2-amino-N,2-dimethyl-N-(oxan-2-ylmethyl)pentanamide;hydrochloride
CID 119746358
2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N-hydroxy-2,2-dimethyl-N-(oxolan-2-ylmethyl)butanamide
CID 131997483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid (CID 114996677) is 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid is CCC(C)(C(=O)O)N(C)CC1CCCCO1.
What is the InChIKey of 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
The InChIKey is QUZMZCIDXWLVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-12(2,11(14)15)13(3)9-10-7-5-6-8-16-10/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid?
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(oxan-2-ylmethyl)amino]butanoic acid is sourced from PubChem (CID 114996677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).