methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate

C11H19NO2 — CID 112581488

IUPACmethyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)CC1CC1
InChIInChI=1S/C11H19NO2/c1-8(7-9-3-4-9)12-6-5-10(12)11(13)14-2/h8-10H,3-7H2,1-2H3
InChIKeyDHXOEGRSOJUIDM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds4

About methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate

methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate (PubChem CID 112581488) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
PubChem CID112581488
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C)CC1CC1
InChIInChI=1S/C11H19NO2/c1-8(7-9-3-4-9)12-6-5-10(12)11(13)14-2/h8-10H,3-7H2,1-2H3
InChIKeyDHXOEGRSOJUIDM-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate (CID 112581488) is methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate is COC(=O)C1CCN1C(C)CC1CC1.
What is the InChIKey of methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate?
The InChIKey is DHXOEGRSOJUIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(7-9-3-4-9)12-6-5-10(12)11(13)14-2/h8-10H,3-7H2,1-2H3.
What are the key properties of methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate?
methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate is sourced from PubChem (CID 112581488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).