2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate

C11H21NO3 — CID 112588020

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1(CN)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-7-6-14-9(13)11(8-12)4-5-11/h4-8,12H2,1-3H3
InChIKeyNLTHPLOCQIOCQF-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds5

About 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 112588020) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID112588020
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1(CN)CC1
InChIInChI=1S/C11H21NO3/c1-10(2,3)15-7-6-14-9(13)11(8-12)4-5-11/h4-8,12H2,1-3H3
InChIKeyNLTHPLOCQIOCQF-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
(3-methoxy-3-methylbutyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 106666128
(3-methoxy-3-methylbutyl) 4-(aminomethyl)oxane-4-carboxylate
CID 106666095
(3-methoxy-3-methylbutyl) 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 106666096
2-[(2-methylpropan-2-yl)oxy]ethyl 3-propan-2-ylpyrrolidine-3-carboxylate
CID 106983595
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 106447956
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
CID 104563587
1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451059
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 106203040
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 112588020) is 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate is CC(C)(C)OCCOC(=O)C1(CN)CC1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is NLTHPLOCQIOCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,3)15-7-6-14-9(13)11(8-12)4-5-11/h4-8,12H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 112588020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).