1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid

C10H17NO4 — CID 51340346

IUPAC1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-6-10(4-5-10)7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyUGPTVCJIZPFGLU-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.38
Rot. Bonds3

About 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 51340346) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID51340346
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-6-10(4-5-10)7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyUGPTVCJIZPFGLU-UHFFFAOYSA-N
XLogP1.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid (CID 51340346) is 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UGPTVCJIZPFGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11-6-10(4-5-10)7(12)13/h4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 51340346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).