2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

C12H21NO4 — CID 69125393

IUPAC2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(C)C
InChIInChI=1S/C12H21NO4/c1-10(2,3)17-9(16)13(6)12(8(14)15)7-11(12,4)5/h7H2,1-6H3,(H,14,15)
InChIKeyRKMLOIHJGHUOBE-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.11
Rot. Bonds2

About 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 69125393) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID69125393
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(C)C
InChIInChI=1S/C12H21NO4/c1-10(2,3)17-9(16)13(6)12(8(14)15)7-11(12,4)5/h7H2,1-6H3,(H,14,15)
InChIKeyRKMLOIHJGHUOBE-UHFFFAOYSA-N
XLogP2.11
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (CID 69125393) is 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is CN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is RKMLOIHJGHUOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-10(2,3)17-9(16)13(6)12(8(14)15)7-11(12,4)5/h7H2,1-6H3,(H,14,15).
What are the key properties of 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 69125393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).