benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate

C15H21NO4 — CID 170167802

IUPACbenzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
SMILESO=C(NC(CO)COC1CCC1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-9-13(11-19-14-7-4-8-14)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyWIVLQQOOABKETO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds7

About benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate

benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate (PubChem CID 170167802) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
PubChem CID170167802
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namebenzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
SMILESO=C(NC(CO)COC1CCC1)OCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-9-13(11-19-14-7-4-8-14)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyWIVLQQOOABKETO-UHFFFAOYSA-N
XLogP1.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 170745120
methyl (2R)-3-cyclopentyloxy-2-(phenylmethoxycarbonylamino)propanoate
CID 169233072
benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
benzyl N-[(2R)-1-hydroxy-3-(oxan-2-yl)propan-2-yl]carbamate
CID 169233030
benzyl N-[(2R)-1-hydroxy-3-(oxolan-2-yl)propan-2-yl]carbamate
CID 169233311
cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
CID 177124623
tert-butyl N-[(2R)-1-fluoro-3-hydroxypropan-2-yl]carbamate;cyclohexyloxymethylbenzene
CID 144830570
2-cyclohexyloxy-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 109388009
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925
tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
CID 69440258
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate (CID 170167802) is benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate is O=C(NC(CO)COC1CCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate?
The InChIKey is WIVLQQOOABKETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-9-13(11-19-14-7-4-8-14)16-15(18)20-10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18).
What are the key properties of benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate?
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate has a molecular weight of 279.34 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate is sourced from PubChem (CID 170167802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).