2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

C13H23NO3 — CID 64835619

IUPAC2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1C(C(=O)O)C1(C)C)C(C)C
InChIInChI=1S/C13H23NO3/c1-6-8(7(2)3)14-11(15)9-10(12(16)17)13(9,4)5/h7-10H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyWKJIZBMIOVNQNX-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.89
Rot. Bonds5

About 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid

2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 64835619) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID64835619
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCCC(NC(=O)C1C(C(=O)O)C1(C)C)C(C)C
InChIInChI=1S/C13H23NO3/c1-6-8(7(2)3)14-11(15)9-10(12(16)17)13(9,4)5/h7-10H,6H2,1-5H3,(H,14,15)(H,16,17)
InChIKeyWKJIZBMIOVNQNX-UHFFFAOYSA-N
XLogP1.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-[[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065140
3-(hexan-2-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64836957
2,2-dimethyl-3-(pent-1-yn-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 106223882
cis-(1R,3S)-3-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091737
2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647
3-[[(1R)-1-cyclohexylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81387091
2,2-dimethyl-3-(1-phenylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835939
3-[butan-2-yl(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837451
cis-(1R,3S)-3-[(1-hydroxy-3-methoxypropan-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 106184925
3-[butan-2-yl(ethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837642
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
cis-(1R,3S)-3-[2-[cyclopropyl(methyl)amino]propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114132555

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 64835619) is 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is CCC(NC(=O)C1C(C(=O)O)C1(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is WKJIZBMIOVNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-6-8(7(2)3)14-11(15)9-10(12(16)17)13(9,4)5/h7-10H,6H2,1-5H3,(H,14,15)(H,16,17).
What are the key properties of 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylpentan-3-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).