1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid

C11H21NO2 — CID 115246491

IUPAC1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CNCC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)7-12-8-11(9(13)14)5-4-6-11/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGZJWSIONWVSIAW-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid

1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246491) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115246491
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)CNCC1(C(=O)O)CCC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)7-12-8-11(9(13)14)5-4-6-11/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyGZJWSIONWVSIAW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,3-dimethylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81361889
1-[(2,2-dimethylpropylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309116
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840
1-[(cyclopentylmethylamino)methyl]cyclobutane-1-carboxylic acid
CID 115246539
1-[(3,4,4-trimethylpentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362424
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
1-[[(2-amino-2-methylpropanoyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444450
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-[[(2-amino-2-methylpentanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311179
1-[(2,3,4-trimethylanilino)methyl]cyclobutane-1-carboxylic acid
CID 115246413
1-[(butanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362512

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid (CID 115246491) is 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid is CC(C)(C)CNCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is GZJWSIONWVSIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)7-12-8-11(9(13)14)5-4-6-11/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylpropylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).