tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate

C11H21NO3 — CID 141291381

IUPACtert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
SMILESC[C@H]1C[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7-5-8(13)6-9(7)12-10(14)15-11(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9-/m0/s1
InChIKeyJPWJBUZLNPWNSN-CIUDSAMLSA-N
MW215.29 g/mol
LogP1.67
Rot. Bonds1

About tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate

tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate (PubChem CID 141291381) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
PubChem CID141291381
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
SMILESC[C@H]1C[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO3/c1-7-5-8(13)6-9(7)12-10(14)15-11(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9-/m0/s1
InChIKeyJPWJBUZLNPWNSN-CIUDSAMLSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
(1S,2R,4S,5S)-2,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 59710782
(1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;methyl (1R,2S,4S)-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 157480163
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
CID 154537617
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(3S,7S)-5-hydroxy-7-methylazepan-3-yl]carbamate
CID 155190179
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate (CID 141291381) is tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate is C[C@H]1C[C@H](O)C[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate?
The InChIKey is JPWJBUZLNPWNSN-CIUDSAMLSA-N. The full InChI is InChI=1S/C11H21NO3/c1-7-5-8(13)6-9(7)12-10(14)15-11(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,12,14)/t7-,8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate?
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate is sourced from PubChem (CID 141291381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).