2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

C13H20N2O4 — CID 64836587

IUPAC2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CC(NC(=O)C2C(C(=O)O)C2(C)C)CCC1=O
InChIInChI=1S/C13H20N2O4/c1-13(2)9(10(13)12(18)19)11(17)14-7-4-5-8(16)15(3)6-7/h7,9-10H,4-6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyZUSLRXCYTLOLAR-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.08
Rot. Bonds3

About 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64836587) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64836587
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CC(NC(=O)C2C(C(=O)O)C2(C)C)CCC1=O
InChIInChI=1S/C13H20N2O4/c1-13(2)9(10(13)12(18)19)11(17)14-7-4-5-8(16)15(3)6-7/h7,9-10H,4-6H2,1-3H3,(H,14,17)(H,18,19)
InChIKeyZUSLRXCYTLOLAR-UHFFFAOYSA-N
XLogP0.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2S,5S)-5-(2-methylpropyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 16098234
3-[(2S,5S)-3,6-dioxo-5-propan-2-ylpiperazin-2-yl]propanoic acid
CID 110191810
3-[(2S,5S)-5-[(2S)-butan-2-yl]-3,6-dioxopiperazin-2-yl]propanoic acid
CID 163109468
Cyclo-(L-Leu-N-ethyl-L-Glu)
CID 170989636
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 64835575
2,2-Dimethyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 64836176
cis-(1R,3S)-2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 105633538
cis-(1R,3S)-2,2-dimethyl-3-[methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 105635825
2,2-Dimethyl-3-(4,4,4-trifluorobutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 105928588
cis-(1R,3S)-2,2-dimethyl-3-(4,4,4-trifluorobutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 114129723
cis-(1R,3S)-2,2-dimethyl-3-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 122065573
cis-(1S,3R)-3-[4-(2,2-difluoroethyl)-3-ethylpiperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066254

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 64836587) is 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is CN1CC(NC(=O)C2C(C(=O)O)C2(C)C)CCC1=O.
What is the InChIKey of 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZUSLRXCYTLOLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-13(2)9(10(13)12(18)19)11(17)14-7-4-5-8(16)15(3)6-7/h7,9-10H,4-6H2,1-3H3,(H,14,17)(H,18,19).
What are the key properties of 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).