1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid

C11H17NO3 — CID 106703650

IUPAC1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-10(2)6-7(10)8(13)12-11(9(14)15)4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMWEBZVZBNKDKAA-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.16
Rot. Bonds3

About 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid

1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 106703650) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID106703650
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCC1(C)CC1C(=O)NC1(C(=O)O)CCC1
InChIInChI=1S/C11H17NO3/c1-10(2)6-7(10)8(13)12-11(9(14)15)4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMWEBZVZBNKDKAA-UHFFFAOYSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
N-[1-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
1-(cyclopentanecarbonylamino)cyclobutane-1-carboxylic acid
CID 81158706
4-methyl-1-(spiro[2.2]pentane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122108091
1-(methylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162026
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003340
1-(bicyclo[4.1.0]heptane-7-carbonylamino)cyclohexane-1-carboxylic acid
CID 81356177
1-[(3,3,5-trimethylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 120530542

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid (CID 106703650) is 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid is CC1(C)CC1C(=O)NC1(C(=O)O)CCC1.
What is the InChIKey of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is MWEBZVZBNKDKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-10(2)6-7(10)8(13)12-11(9(14)15)4-3-5-11/h7H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 106703650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).