1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid

C12H21NO3 — CID 116522769

IUPAC1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC(CNC2(C(=O)O)CCC2)O1
InChIInChI=1S/C12H21NO3/c1-11(2)7-4-9(16-11)8-13-12(10(14)15)5-3-6-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKSGABFQUNKVPOT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.54
Rot. Bonds4

About 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid

1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 116522769) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID116522769
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CCC(CNC2(C(=O)O)CCC2)O1
InChIInChI=1S/C12H21NO3/c1-11(2)7-4-9(16-11)8-13-12(10(14)15)5-3-6-12/h9,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyKSGABFQUNKVPOT-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5,5-dimethyloxolan-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 116520999
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-ethylcyclobutan-1-amine
CID 116521711
1-[(5,5-dimethyloxolan-2-yl)methyl]cyclobutane-1-carboxylic acid
CID 116522822
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylcyclohexan-1-amine
CID 116521368
N-cyclopropyl-2-[(5,5-dimethyloxolan-2-yl)methylamino]acetamide
CID 116521228
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-sulfanylpropanamide
CID 164646624
1-[(4-propan-2-ylmorpholin-2-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81168185
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-methylpropan-2-amine
CID 116521163

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid (CID 116522769) is 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid is CC1(C)CCC(CNC2(C(=O)O)CCC2)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KSGABFQUNKVPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-11(2)7-4-9(16-11)8-13-12(10(14)15)5-3-6-12/h9,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116522769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).