tert-butyl 4-aminooxolane-3-carboxylate

C9H17NO3 — CID 66239321

IUPACtert-butyl 4-aminooxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1COCC1N
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7H,4-5,10H2,1-3H3
InChIKeyKHFMOCFGCVKWHU-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds1

About tert-butyl 4-aminooxolane-3-carboxylate

tert-butyl 4-aminooxolane-3-carboxylate (PubChem CID 66239321) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl 4-aminooxolane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-aminooxolane-3-carboxylate
PubChem CID66239321
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl 4-aminooxolane-3-carboxylate
SMILESCC(C)(C)OC(=O)C1COCC1N
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7H,4-5,10H2,1-3H3
InChIKeyKHFMOCFGCVKWHU-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,4S)-4-aminooxane-3-carboxylate
CID 125453608
tert-butyl 4-hydroxyoxolane-3-carboxylate
CID 11412816
2-methylpropyl 4-aminooxolane-3-carboxylate
CID 66239922
2-cyclopropylethyl 4-aminooxolane-3-carboxylate
CID 106202631
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl (3S,4S)-4-amino-5-oxooxolane-3-carboxylate
CID 67056502
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-aminooxolane-3-carboxylate
CID 104563231
ditert-butyl (1R,3S,4S,6R)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 10924504
(2,6-dimethyloxan-4-yl) 4-aminooxolane-3-carboxylate
CID 113369243
ditert-butyl 4-aminopyrrolidine-1,3-dicarboxylate
CID 163359559
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
tert-butyl (3aR,7S,7aS)-7-amino-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-2-carboxylate
CID 97112114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminooxolane-3-carboxylate?
The IUPAC name of tert-butyl 4-aminooxolane-3-carboxylate (CID 66239321) is tert-butyl 4-aminooxolane-3-carboxylate.
What is the SMILES notation for tert-butyl 4-aminooxolane-3-carboxylate?
The canonical SMILES for tert-butyl 4-aminooxolane-3-carboxylate is CC(C)(C)OC(=O)C1COCC1N.
What is the InChIKey of tert-butyl 4-aminooxolane-3-carboxylate?
The InChIKey is KHFMOCFGCVKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6-7H,4-5,10H2,1-3H3.
What are the key properties of tert-butyl 4-aminooxolane-3-carboxylate?
tert-butyl 4-aminooxolane-3-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminooxolane-3-carboxylate is sourced from PubChem (CID 66239321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).