3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C11H17NO3 — CID 64834865

IUPAC3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCC1
InChIInChI=1S/C11H17NO3/c1-11(2)7(8(11)10(14)15)9(13)12-6-4-3-5-6/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLPXRZEJQOXTTSV-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.01
Rot. Bonds3

About 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64834865) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64834865
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCC1
InChIInChI=1S/C11H17NO3/c1-11(2)7(8(11)10(14)15)9(13)12-6-4-3-5-6/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyLPXRZEJQOXTTSV-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834981
cis-(1R,3S)-3-(cyclooctylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091608
2,2-dimethyl-3-(piperidin-4-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64836565
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64835405
cis-(1R,3S)-3-[[(1R,2R)-2-hydroxycyclohexyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093239
3-[(2-hydroxycyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834681
cis-(1R,3S)-2,2-dimethyl-3-[[(1S,3R)-3-(pyrrolidine-1-carbonyl)cyclopentyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122066932
3-[(2,2-dimethylcyclohexyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 79862092
2,2-dimethyl-3-[(6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836966
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64836587
3-(cyclopentyloxycarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83229822
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81387091

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64834865) is 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCC1.
What is the InChIKey of 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is LPXRZEJQOXTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-11(2)7(8(11)10(14)15)9(13)12-6-4-3-5-6/h6-8H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64834865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).