[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate

C7H11NO3 — CID 121410304

IUPAC[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate
SMILESNC(=O)O[C@H]1C[C@@H]2C[C@@H]2[C@@H]1O
InChIInChI=1S/C7H11NO3/c8-7(10)11-5-2-3-1-4(3)6(5)9/h3-6,9H,1-2H2,(H2,8,10)/t3-,4-,5-,6-/m0/s1
InChIKeyMXEQXKUGWDBXPE-BXKVDMCESA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds1

About [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate

[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate (PubChem CID 121410304) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate.

Molecular Properties

Compound Name[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate
PubChem CID121410304
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate
SMILESNC(=O)O[C@H]1C[C@@H]2C[C@@H]2[C@@H]1O
InChIInChI=1S/C7H11NO3/c8-7(10)11-5-2-3-1-4(3)6(5)9/h3-6,9H,1-2H2,(H2,8,10)/t3-,4-,5-,6-/m0/s1
InChIKeyMXEQXKUGWDBXPE-BXKVDMCESA-N
XLogP-0.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[(1S,2S)-2-iodocyclopentyl] carbamate
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(4-aminooxolan-3-yl) carbamate
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(2-methylcyclohexyl) carbamate
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[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
CID 118036175

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate?
The IUPAC name of [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate (CID 121410304) is [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate.
What is the SMILES notation for [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate?
The canonical SMILES for [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate is NC(=O)O[C@H]1C[C@@H]2C[C@@H]2[C@@H]1O.
What is the InChIKey of [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate?
The InChIKey is MXEQXKUGWDBXPE-BXKVDMCESA-N. The full InChI is InChI=1S/C7H11NO3/c8-7(10)11-5-2-3-1-4(3)6(5)9/h3-6,9H,1-2H2,(H2,8,10)/t3-,4-,5-,6-/m0/s1.
What are the key properties of [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate?
[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate is sourced from PubChem (CID 121410304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).