benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate

C19H28N2O4 — CID 20729715

IUPACbenzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20-12-15-9-10-16(11-15)21-18(23)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyRBGPGEGLXRNHOX-JKSUJKDBSA-N
MW348.44 g/mol
LogP3.61
Rot. Bonds5

About benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate

benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate (PubChem CID 20729715) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
PubChem CID20729715
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20-12-15-9-10-16(11-15)21-18(23)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1
InChIKeyRBGPGEGLXRNHOX-JKSUJKDBSA-N
XLogP3.61
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
benzyl N-[2-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]ethyl]carbamate
CID 177028190
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[(1S,2R,4R)-2-formyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 89152374
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
benzyl N-[2-(1-hydroxyethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 68765592
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
tert-butyl N-[(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]carbamate
CID 23577315
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate (CID 20729715) is benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate?
The InChIKey is RBGPGEGLXRNHOX-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-19(2,3)25-17(22)20-12-15-9-10-16(11-15)21-18(23)24-13-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3,(H,20,22)(H,21,23)/t15-,16+/m0/s1.
What are the key properties of benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate?
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate is sourced from PubChem (CID 20729715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).