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

C14H19NO4 — CID 64834672

IUPAC2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H19NO4/c1-8-9(5-6-19-8)7-15(4)12(16)10-11(13(17)18)14(10,2)3/h5-6,10-11H,7H2,1-4H3,(H,17,18)
InChIKeyLKQOLHCVOMSWGS-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.90
Rot. Bonds4

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

2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64834672) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64834672
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1occc1CN(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C14H19NO4/c1-8-9(5-6-19-8)7-15(4)12(16)10-11(13(17)18)14(10,2)3/h5-6,10-11H,7H2,1-4H3,(H,17,18)
InChIKeyLKQOLHCVOMSWGS-UHFFFAOYSA-N
XLogP1.90
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 64834672) is 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is Cc1occc1CN(C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LKQOLHCVOMSWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-8-9(5-6-19-8)7-15(4)12(16)10-11(13(17)18)14(10,2)3/h5-6,10-11H,7H2,1-4H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[methyl-[(2-methylfuran-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64834672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).