benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate

C19H24N2O6 — CID 23259049

IUPACbenzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate
SMILESC[C@H](OC(=O)NC1CC1)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-11(27-19(24)25-10-13-6-4-3-5-7-13)15-16(21-17(15)22)12(2)26-18(23)20-14-8-9-14/h3-7,11-12,14-16H,8-10H2,1-2H3,(H,20,23)(H,21,22)/t11-,12+,15-,16-/m1/s1
InChIKeyHIHXPYRAXSXCSN-NOXHYTERSA-N
MW376.41 g/mol
LogP2.12
Rot. Bonds7

About benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate

benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate (PubChem CID 23259049) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate.

Molecular Properties

Compound Namebenzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate
PubChem CID23259049
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Namebenzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate
SMILESC[C@H](OC(=O)NC1CC1)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC(=O)OCc1ccccc1
InChIInChI=1S/C19H24N2O6/c1-11(27-19(24)25-10-13-6-4-3-5-7-13)15-16(21-17(15)22)12(2)26-18(23)20-14-8-9-14/h3-7,11-12,14-16H,8-10H2,1-2H3,(H,20,23)(H,21,22)/t11-,12+,15-,16-/m1/s1
InChIKeyHIHXPYRAXSXCSN-NOXHYTERSA-N
XLogP2.12
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate with MolForge

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Related Compounds

Acetic acid (2S,3S)-3-((S)-2-benzyloxycarbonylamino-4-methyl-pentanoylamino)-4-oxo-azetidin-2-yl ester
CID 11703830
benzyl N-[(2S)-1-[[(2R)-1-[(1S,2S)-2-[[(2R,3S)-3-[(2S)-butan-2-yl]-4-oxooxetane-2-carbonyl]amino]cyclopropyl]butan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 71655218
Acetic acid (2S,3S)-3-{[(R)-2-((S)-benzyloxycarbonylamino)-cyclopentanecarbonyl]-amino}-4-oxo-azetidin-2-yl ester
CID 44304634
Cbz-Leu-Leu-Leu-(1).H-Thr(1)-NH2
CID 177693197
benzyl N-[[(4S,5R,6S)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate
CID 134997543
benzyl N-[[(4S,5R,6R)-4-[(2-methylpropan-2-yl)oxy]-7-oxo-1-azabicyclo[3.2.0]heptan-6-yl]methyl]carbamate
CID 134998204
Kqtovtusobdrnj-zmjpvwnmsa-
CID 23259043
Qollumrebyffsj-wosnltmfsa-
CID 23259045
[(2S,3S)-3-[[(2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-oxoazetidin-2-yl] acetate
CID 10320532
(3S,4R)-3-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(phenylmethoxymethyl)azetidin-2-one
CID 13714587
(3S,4R)-3-[(1R)-1-hydroxyethyl]-4-(phenylmethoxymethyl)azetidin-2-one
CID 13714589
Benzyl 1-[2-(1-hydroxypropan-2-yl)-4-oxoazetidin-3-yl]ethyl carbonate
CID 13960425

Frequently Asked Questions

What is the IUPAC name of benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate?
The IUPAC name of benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate (CID 23259049) is benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate.
What is the SMILES notation for benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate?
The canonical SMILES for benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate is C[C@H](OC(=O)NC1CC1)[C@H]1NC(=O)[C@@H]1[C@@H](C)OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate?
The InChIKey is HIHXPYRAXSXCSN-NOXHYTERSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-11(27-19(24)25-10-13-6-4-3-5-7-13)15-16(21-17(15)22)12(2)26-18(23)20-14-8-9-14/h3-7,11-12,14-16H,8-10H2,1-2H3,(H,20,23)(H,21,22)/t11-,12+,15-,16-/m1/s1.
What are the key properties of benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate?
benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate has a molecular weight of 376.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(1R)-1-[(2S,3S)-2-[(1S)-1-(cyclopropylcarbamoyloxy)ethyl]-4-oxoazetidin-3-yl]ethyl] carbonate is sourced from PubChem (CID 23259049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).