benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate

C17H24N2O6 — CID 138107737

IUPACbenzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OCc1ccccc1)C(=O)NOC1CCCCO1
InChIInChI=1S/C17H24N2O6/c1-12(20)15(16(21)19-25-14-9-5-6-10-23-14)18-17(22)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyZSUYSCQLCQPTII-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.24
Rot. Bonds7

About benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate

benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate (PubChem CID 138107737) has the molecular formula C17H24N2O6 and a molecular weight of 352.39 g/mol. Its IUPAC name is benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
PubChem CID138107737
Molecular FormulaC17H24N2O6
Molecular Weight352.39 g/mol
Exact Mass352.16
IUPAC Namebenzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate
SMILESCC(O)C(NC(=O)OCc1ccccc1)C(=O)NOC1CCCCO1
InChIInChI=1S/C17H24N2O6/c1-12(20)15(16(21)19-25-14-9-5-6-10-23-14)18-17(22)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyZSUYSCQLCQPTII-UHFFFAOYSA-N
XLogP1.24
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-3-hydroxy-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 132598880
(3S)-5-methyl-2-(oxan-2-yloxy)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 18633321
methyl 2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
CID 13372687
benzyl N-[(2S,3R)-3-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1-oxobutan-2-yl]carbamate
CID 131878189
benzyl N-[(2S)-1-[[(2S)-1-[[2-(oxan-2-yloxy)-4-phenylbutyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 102453328
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017
tert-butyl (2S,3S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoate
CID 54562701
benzyl N-[1-[(2-hydroxyoxolan-3-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22444784
benzyl (2S)-2-[[(2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate
CID 92643262
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 4248502

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate (CID 138107737) is benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate is CC(O)C(NC(=O)OCc1ccccc1)C(=O)NOC1CCCCO1.
What is the InChIKey of benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate?
The InChIKey is ZSUYSCQLCQPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6/c1-12(20)15(16(21)19-25-14-9-5-6-10-23-14)18-17(22)24-11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,20H,5-6,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate?
benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate has a molecular weight of 352.39 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-hydroxy-1-(oxan-2-yloxyamino)-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 138107737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).