2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate

C12H23NO4 — CID 112588090

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-6-5-16-10(14)12(4)8-15-7-9(12)13/h9H,5-8,13H2,1-4H3
InChIKeySZPSKFIHFRQHBH-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.71
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate

2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate (PubChem CID 112588090) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate
PubChem CID112588090
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate
SMILESCC(C)(C)OCCOC(=O)C1(C)COCC1N
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-6-5-16-10(14)12(4)8-15-7-9(12)13/h9H,5-8,13H2,1-4H3
InChIKeySZPSKFIHFRQHBH-UHFFFAOYSA-N
XLogP0.71
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 66250331
2-(2-methylpropoxy)ethyl 4-amino-3-methyloxolane-3-carboxylate
CID 106448172
3-phenylpropyl 4-amino-3-methyloxolane-3-carboxylate
CID 66249748
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-methyloxolane-3-carboxamide
CID 66250598
1-(4-amino-3-methyloxolan-3-yl)-3-tert-butylsulfonylpropan-1-one
CID 106736319
4-amino-N-(2-ethoxyethyl)-3-methyloxolane-3-carboxamide
CID 66249824
2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 112588020
methyl 2-[(4-amino-3-methyloxolane-3-carbonyl)-methylamino]acetate
CID 66250642
4-amino-3-methyl-N-(2-methylbut-3-yn-2-yl)oxolane-3-carboxamide
CID 66263338
2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
CID 79457673
(2S)-2-[(4-amino-3-methyloxolane-3-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 66250458
1-(4-amino-3-methyloxolan-3-yl)octan-1-one
CID 116563036

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate (CID 112588090) is 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate is CC(C)(C)OCCOC(=O)C1(C)COCC1N.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate?
The InChIKey is SZPSKFIHFRQHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-6-5-16-10(14)12(4)8-15-7-9(12)13/h9H,5-8,13H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate?
2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-amino-3-methyloxolane-3-carboxylate is sourced from PubChem (CID 112588090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).