benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate

C17H26N2O4 — CID 67477039

IUPACbenzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
SMILESCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-5-14(11-18-15(20)23-17(2,3)4)19-16(21)22-12-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyXVXPQBIEBCYLCW-CQSZACIVSA-N
MW322.40 g/mol
LogP3.22
Rot. Bonds6

About benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate

benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate (PubChem CID 67477039) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
PubChem CID67477039
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Namebenzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
SMILESCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H26N2O4/c1-5-14(11-18-15(20)23-17(2,3)4)19-16(21)22-12-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3,(H,18,20)(H,19,21)/t14-/m1/s1
InChIKeyXVXPQBIEBCYLCW-CQSZACIVSA-N
XLogP3.22
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate (CID 67477039) is benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate is CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
The InChIKey is XVXPQBIEBCYLCW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-14(11-18-15(20)23-17(2,3)4)19-16(21)22-12-13-9-7-6-8-10-13/h6-10,14H,5,11-12H2,1-4H3,(H,18,20)(H,19,21)/t14-/m1/s1.
What are the key properties of benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate?
benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate is sourced from PubChem (CID 67477039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).