[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid

C7H11NO3 — CID 118036175

IUPAC[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@@H]2CC2C1O
InChIInChI=1S/C7H11NO3/c9-6-4-1-3(4)2-5(6)8-7(10)11/h3-6,8-9H,1-2H2,(H,10,11)/t3-,4?,5-,6?/m0/s1
InChIKeyZLOSJTVWVXPNKC-RHAWHZQYSA-N
MW157.17 g/mol
LogP0.02
Rot. Bonds1

About [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid

[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid (PubChem CID 118036175) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid.

Molecular Properties

Compound Name[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
PubChem CID118036175
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid
SMILESO=C(O)N[C@H]1C[C@@H]2CC2C1O
InChIInChI=1S/C7H11NO3/c9-6-4-1-3(4)2-5(6)8-7(10)11/h3-6,8-9H,1-2H2,(H,10,11)/t3-,4?,5-,6?/m0/s1
InChIKeyZLOSJTVWVXPNKC-RHAWHZQYSA-N
XLogP0.02
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S,5S)-5-cyclopropyl-4-hydroxypiperidin-3-yl]carbamic acid
CID 90279823
3-azabicyclo[3.2.0]heptan-6-ylcarbamic acid
CID 154998847
[(1R,2S,3S,4S)-2,3-dihydroxy-4-(2-hydroxyethoxy)cyclopentyl]carbamic acid
CID 118119974
[(1R,2R,3R,4S)-2-bromo-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamic acid
CID 68909262
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
(2-methoxycyclopropyl)carbamic acid
CID 91613377
7-oxabicyclo[2.2.1]heptan-2-ylcarbamic acid
CID 67016834
[(2R,4R)-4-cyano-2-hydroxycyclopentyl]carbamic acid
CID 126623804
[(1R,3R)-3-hydroxycycloheptyl]carbamic acid
CID 89396193
N-(9-hydroxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)prop-2-enamide
CID 20727711
[(1S,2S,3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl] carbamate
CID 121410304

Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid?
The IUPAC name of [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid (CID 118036175) is [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid.
What is the SMILES notation for [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid?
The canonical SMILES for [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid is O=C(O)N[C@H]1C[C@@H]2CC2C1O.
What is the InChIKey of [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid?
The InChIKey is ZLOSJTVWVXPNKC-RHAWHZQYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-4-1-3(4)2-5(6)8-7(10)11/h3-6,8-9H,1-2H2,(H,10,11)/t3-,4?,5-,6?/m0/s1.
What are the key properties of [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid?
[(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid has a molecular weight of 157.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-2-hydroxy-3-bicyclo[3.1.0]hexanyl]carbamic acid is sourced from PubChem (CID 118036175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).