tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate

C12H23NO5 — CID 156510881

IUPACtert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-8-5-7(6-14)12(4,17)9(8)15/h7-9,14-15,17H,5-6H2,1-4H3,(H,13,16)/t7-,8-,9+,12-/m1/s1
InChIKeyFIKVBNCLTWAOAJ-KZFFXBSXSA-N
MW261.32 g/mol
LogP0.00
Rot. Bonds2

About tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate

tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate (PubChem CID 156510881) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate
PubChem CID156510881
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Nametert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)[C@@](C)(O)[C@H]1O
InChIInChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-8-5-7(6-14)12(4,17)9(8)15/h7-9,14-15,17H,5-6H2,1-4H3,(H,13,16)/t7-,8-,9+,12-/m1/s1
InChIKeyFIKVBNCLTWAOAJ-KZFFXBSXSA-N
XLogP0.00
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076
tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-[(1R,6S)-6-(hydroxymethyl)cyclohex-3-en-1-yl]carbamate
CID 101136349
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(3S)-7,7-dichloro-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-bicyclo[4.1.0]heptanyl]carbamate
CID 134438268
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
tert-butyl N-[(1R,5S)-5-hydroxy-3,3-dimethylcyclohexyl]carbamate
CID 90020389
tert-butyl N-[(2S,3S,4S)-3,6-dihydroxy-2-methyloxan-4-yl]carbamate
CID 15344114

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate (CID 156510881) is tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](CO)[C@@](C)(O)[C@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate?
The InChIKey is FIKVBNCLTWAOAJ-KZFFXBSXSA-N. The full InChI is InChI=1S/C12H23NO5/c1-11(2,3)18-10(16)13-8-5-7(6-14)12(4,17)9(8)15/h7-9,14-15,17H,5-6H2,1-4H3,(H,13,16)/t7-,8-,9+,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate?
tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 0.00, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-3-methylcyclopentyl]carbamate is sourced from PubChem (CID 156510881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).