[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate

C20H30N2O5 — CID 162390398

IUPAC[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC(C[C@H](CO)OC(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-19(25)22-16-9-15(10-16)11-17(13-23)26-18(24)21-12-14-7-5-4-6-8-14/h4-8,15-17,23H,9-13H2,1-3H3,(H,21,24)(H,22,25)/t15?,16?,17-/m1/s1
InChIKeyBNOJQEUVPGBVED-OFLPRAFFSA-N
MW378.47 g/mol
LogP2.97
Rot. Bonds7

About [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate

[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate (PubChem CID 162390398) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate
PubChem CID162390398
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC Name[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate
SMILESCC(C)(C)OC(=O)NC1CC(C[C@H](CO)OC(=O)NCc2ccccc2)C1
InChIInChI=1S/C20H30N2O5/c1-20(2,3)27-19(25)22-16-9-15(10-16)11-17(13-23)26-18(24)21-12-14-7-5-4-6-8-14/h4-8,15-17,23H,9-13H2,1-3H3,(H,21,24)(H,22,25)/t15?,16?,17-/m1/s1
InChIKeyBNOJQEUVPGBVED-OFLPRAFFSA-N
XLogP2.97
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate with MolForge

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Related Compounds

benzyl N-[(2R)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]but-3-en-2-yl]carbamate
CID 167414443
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
tert-butyl N-[1,3-bis(benzylamino)-1,3-dioxopropan-2-yl]carbamate
CID 18348128
tert-butyl N-[3-(1-phenylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759638
tert-butyl N-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]cyclobutyl]carbamate
CID 107862559
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[5-(benzylcarbamoyl)-2,3-dihydro-1H-inden-2-yl]carbamate
CID 22719645
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
tert-butyl 4-(benzylcarbamoyloxy)pent-2-enoate
CID 75145950
tert-butyl N-[4-(benzylamino)-4-oxobutyl]carbamate
CID 9138499
tert-butyl N-[4-(benzylamino)cyclohex-2-en-1-yl]carbamate
CID 130003473

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate?
The IUPAC name of [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate (CID 162390398) is [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate?
The canonical SMILES for [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate is CC(C)(C)OC(=O)NC1CC(C[C@H](CO)OC(=O)NCc2ccccc2)C1.
What is the InChIKey of [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate?
The InChIKey is BNOJQEUVPGBVED-OFLPRAFFSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-20(2,3)27-19(25)22-16-9-15(10-16)11-17(13-23)26-18(24)21-12-14-7-5-4-6-8-14/h4-8,15-17,23H,9-13H2,1-3H3,(H,21,24)(H,22,25)/t15?,16?,17-/m1/s1.
What are the key properties of [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate?
[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate has a molecular weight of 378.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 162390398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).