tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate

C20H38N2O6 — CID 86222893

IUPACtert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](O)C1.CC(C)(C)OC(=O)N[C@H]1CC[C@H](O)C1
InChIInChI=1S/2C10H19NO3/c2*1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h2*7-8,12H,4-6H2,1-3H3,(H,11,13)/t2*7-,8-/m10/s1
InChIKeyBJJWVDLDULXXGG-SRPOWUSQSA-N
MW402.53 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate

tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate (PubChem CID 86222893) has the molecular formula C20H38N2O6 and a molecular weight of 402.53 g/mol. Its IUPAC name is tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
PubChem CID86222893
Molecular FormulaC20H38N2O6
Molecular Weight402.53 g/mol
Exact Mass402.27
IUPAC Nametert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CC[C@@H](O)C1.CC(C)(C)OC(=O)N[C@H]1CC[C@H](O)C1
InChIInChI=1S/2C10H19NO3/c2*1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h2*7-8,12H,4-6H2,1-3H3,(H,11,13)/t2*7-,8-/m10/s1
InChIKeyBJJWVDLDULXXGG-SRPOWUSQSA-N
XLogP2.85
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1R)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R)-3-oxocyclopentyl]carbamate
CID 159223543
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate (CID 86222893) is tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](O)C1.CC(C)(C)OC(=O)N[C@H]1CC[C@H](O)C1.
What is the InChIKey of tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate?
The InChIKey is BJJWVDLDULXXGG-SRPOWUSQSA-N. The full InChI is InChI=1S/2C10H19NO3/c2*1-10(2,3)14-9(13)11-7-4-5-8(12)6-7/h2*7-8,12H,4-6H2,1-3H3,(H,11,13)/t2*7-,8-/m10/s1.
What are the key properties of tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate?
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate has a molecular weight of 402.53 g/mol, XLogP of 2.85, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate is sourced from PubChem (CID 86222893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).