2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid

C12H23NO3 — CID 116522712

IUPAC2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(CC1CCC(C)(C)O1)C(C)(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-11(2)7-6-9(16-11)8-13(5)12(3,4)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyBWSOIRKUGXLFNK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds4

About 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid

2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid (PubChem CID 116522712) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
PubChem CID116522712
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid
SMILESCN(CC1CCC(C)(C)O1)C(C)(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-11(2)7-6-9(16-11)8-13(5)12(3,4)10(14)15/h9H,6-8H2,1-5H3,(H,14,15)
InChIKeyBWSOIRKUGXLFNK-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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
4-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]butanoic acid
CID 116522700
2-(aminomethyl)-3-(5,5-dimethyloxolan-2-yl)-2-methylpropanoic acid
CID 106487161
1-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-2-ol
CID 116523432
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]propan-1-ol
CID 116523454
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2,2-dimethyloxolane
CID 116525310
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
2-[N-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylanilino]acetic acid
CID 116522678
(2R)-2-amino-3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-3-methylbutanoic acid
CID 106442961
3-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]-2-methylpropanoic acid
CID 116520691
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-2-N-methylpropane-1,2-diamine
CID 116524100

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid (CID 116522712) is 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid is CN(CC1CCC(C)(C)O1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is BWSOIRKUGXLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)7-6-9(16-11)8-13(5)12(3,4)10(14)15/h9H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid?
2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethyloxolan-2-yl)methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 116522712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).