benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate

C14H16N2O2 — CID 23636183

IUPACbenzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
SMILESN#C[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c15-9-12-7-4-8-13(12)16-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-8,10H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyWRPHLOJKLQKFPE-OLZOCXBDSA-N
MW244.29 g/mol
LogP2.61
Rot. Bonds3

About benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate

benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate (PubChem CID 23636183) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
PubChem CID23636183
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namebenzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
SMILESN#C[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1
InChIInChI=1S/C14H16N2O2/c15-9-12-7-4-8-13(12)16-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-8,10H2,(H,16,17)/t12-,13+/m1/s1
InChIKeyWRPHLOJKLQKFPE-OLZOCXBDSA-N
XLogP2.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
2-amino-N-(2-cyanocyclopentyl)-3-phenylpropanamide
CID 62962908
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-[(2S)-2-formylcyclohexyl]carbamate
CID 89323392

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate?
The IUPAC name of benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate (CID 23636183) is benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate is N#C[C@H]1CCC[C@@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate?
The InChIKey is WRPHLOJKLQKFPE-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-9-12-7-4-8-13(12)16-14(17)18-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-8,10H2,(H,16,17)/t12-,13+/m1/s1.
What are the key properties of benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate?
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate is sourced from PubChem (CID 23636183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).