butan-2-yl 4-(propylamino)oxolane-3-carboxylate

C12H23NO3 — CID 66253078

IUPACbutan-2-yl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC(C)CC
InChIInChI=1S/C12H23NO3/c1-4-6-13-11-8-15-7-10(11)12(14)16-9(3)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyVZIUBACFNLOTAY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds6

About butan-2-yl 4-(propylamino)oxolane-3-carboxylate

butan-2-yl 4-(propylamino)oxolane-3-carboxylate (PubChem CID 66253078) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is butan-2-yl 4-(propylamino)oxolane-3-carboxylate.

Molecular Properties

Compound Namebutan-2-yl 4-(propylamino)oxolane-3-carboxylate
PubChem CID66253078
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namebutan-2-yl 4-(propylamino)oxolane-3-carboxylate
SMILESCCCNC1COCC1C(=O)OC(C)CC
InChIInChI=1S/C12H23NO3/c1-4-6-13-11-8-15-7-10(11)12(14)16-9(3)5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyVZIUBACFNLOTAY-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

rac-tert-butyl (3R,4R)-4-aminooxolane-3-carboxylate
CID 137963942
Methyl 4-(2,2-difluoroethylamino)oxolane-3-carboxylate
CID 170771452
methyl 2-[(2R,4S)-4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
CID 51350844
Methyl cis-4-{[(tert-butoxy)carbonyl]aminooxolane-3-carboxylate
CID 132352761
methyl (3R,4S)-4-acetamidooxolane-3-carboxylate
CID 58582404
Methyl 3-(propan-2-ylamino)oxolane-3-carboxylate
CID 63335793
Methyl 4-(methylamino)oxolane-3-carboxylate
CID 66266872
Methyl cis-4-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylate
CID 105531576
Methylcis-4-{[(tert-butoxy)carbonyl]amino}oxolane-3-carboxylate
CID 105532071
methyl (3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylate
CID 105532620
Methyl 2-methyl-3-[2-(methylamino)butoxy]butanoate
CID 145528887
Methyl 3-[(3-methoxy-3-oxopropyl)amino]oxolane-3-carboxylate
CID 146980754

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 4-(propylamino)oxolane-3-carboxylate?
The IUPAC name of butan-2-yl 4-(propylamino)oxolane-3-carboxylate (CID 66253078) is butan-2-yl 4-(propylamino)oxolane-3-carboxylate.
What is the SMILES notation for butan-2-yl 4-(propylamino)oxolane-3-carboxylate?
The canonical SMILES for butan-2-yl 4-(propylamino)oxolane-3-carboxylate is CCCNC1COCC1C(=O)OC(C)CC.
What is the InChIKey of butan-2-yl 4-(propylamino)oxolane-3-carboxylate?
The InChIKey is VZIUBACFNLOTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-6-13-11-8-15-7-10(11)12(14)16-9(3)5-2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of butan-2-yl 4-(propylamino)oxolane-3-carboxylate?
butan-2-yl 4-(propylamino)oxolane-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 4-(propylamino)oxolane-3-carboxylate is sourced from PubChem (CID 66253078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).