methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate

C12H21NO4 — CID 10332021

IUPACmethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
SMILESCCN(C(=O)OC(C)(C)C)C1(C(=O)OC)CC1
InChIInChI=1S/C12H21NO4/c1-6-13(10(15)17-11(2,3)4)12(7-8-12)9(14)16-5/h6-8H2,1-5H3
InChIKeyZFCGQQURDXZREE-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.95
Rot. Bonds3

About methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate

methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate (PubChem CID 10332021) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
PubChem CID10332021
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
SMILESCCN(C(=O)OC(C)(C)C)C1(C(=O)OC)CC1
InChIInChI=1S/C12H21NO4/c1-6-13(10(15)17-11(2,3)4)12(7-8-12)9(14)16-5/h6-8H2,1-5H3
InChIKeyZFCGQQURDXZREE-UHFFFAOYSA-N
XLogP1.95
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate (CID 10332021) is methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate is CCN(C(=O)OC(C)(C)C)C1(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate?
The InChIKey is ZFCGQQURDXZREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-6-13(10(15)17-11(2,3)4)12(7-8-12)9(14)16-5/h6-8H2,1-5H3.
What are the key properties of methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate?
methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 10332021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).