benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate

C15H19NO3 — CID 101208445

IUPACbenzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-8-11-6-14(13-7-12(11)13)16-15(18)19-9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2,(H,16,18)/t11-,12-,13-,14-/m1/s1
InChIKeyQSXOUVUZXWQIEU-AAVRWANBSA-N
MW261.32 g/mol
LogP1.93
Rot. Bonds4

About benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate

benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate (PubChem CID 101208445) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
PubChem CID101208445
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
SMILESO=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-8-11-6-14(13-7-12(11)13)16-15(18)19-9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2,(H,16,18)/t11-,12-,13-,14-/m1/s1
InChIKeyQSXOUVUZXWQIEU-AAVRWANBSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
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benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
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benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
CID 138980192
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
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benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate (CID 101208445) is benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate is O=C(N[C@@H]1C[C@H](CO)[C@H]2C[C@H]21)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate?
The InChIKey is QSXOUVUZXWQIEU-AAVRWANBSA-N. The full InChI is InChI=1S/C15H19NO3/c17-8-11-6-14(13-7-12(11)13)16-15(18)19-9-10-4-2-1-3-5-10/h1-5,11-14,17H,6-9H2,(H,16,18)/t11-,12-,13-,14-/m1/s1.
What are the key properties of benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate?
benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate is sourced from PubChem (CID 101208445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).