3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C13H22N2O4 — CID 106275598

IUPAC3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCNC(=O)C(C)(C)CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-12(2,11(19)14-5)6-15-9(16)7-8(10(17)18)13(7,3)4/h7-8H,6H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyCMNRXBHDIXCBDJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.23
Rot. Bonds5

About 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 106275598) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID106275598
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCNC(=O)C(C)(C)CNC(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H22N2O4/c1-12(2,11(19)14-5)6-15-9(16)7-8(10(17)18)13(7,3)4/h7-8H,6H2,1-5H3,(H,14,19)(H,15,16)(H,17,18)
InChIKeyCMNRXBHDIXCBDJ-UHFFFAOYSA-N
XLogP0.23
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64835556
3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114163245
2,2-dimethyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102903647
2,2-dimethyl-3-[(2-methyl-2-morpholin-4-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 64835014
cis-(1S,3R)-3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065417
5-amino-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 106280309
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 106275580
3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
(2R)-N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 106276954
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
3-(3-methoxypropylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64834806

Frequently Asked Questions

What is the IUPAC name of 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 106275598) is 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CNC(=O)C(C)(C)CNC(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CMNRXBHDIXCBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,11(19)14-5)6-15-9(16)7-8(10(17)18)13(7,3)4/h7-8H,6H2,1-5H3,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 106275598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).