tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate

C13H25NO5 — CID 123706193

IUPACtert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)C(OC(C)(C)O)C1
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(16)14-8-6-9(15)10(7-8)18-13(4,5)17/h8-10,15,17H,6-7H2,1-5H3,(H,14,16)
InChIKeyKHONKNHZMVQNBR-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.15
Rot. Bonds3

About tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate

tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate (PubChem CID 123706193) has the molecular formula C13H25NO5 and a molecular weight of 275.34 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
PubChem CID123706193
Molecular FormulaC13H25NO5
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Nametert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)C(OC(C)(C)O)C1
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(16)14-8-6-9(15)10(7-8)18-13(4,5)17/h8-10,15,17H,6-7H2,1-5H3,(H,14,16)
InChIKeyKHONKNHZMVQNBR-UHFFFAOYSA-N
XLogP1.15
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(3,6-dihydroxycyclohept-4-en-1-yl)carbamate
CID 15768172
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
tert-butyl N-[(1R,2R,4S)-4-carbamoyl-2-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate
CID 71097600
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
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-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
[(1S,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohept-3-en-1-yl] acetate
CID 11369222
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate (CID 123706193) is tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CC(O)C(OC(C)(C)O)C1.
What is the InChIKey of tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
The InChIKey is KHONKNHZMVQNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO5/c1-12(2,3)19-11(16)14-8-6-9(15)10(7-8)18-13(4,5)17/h8-10,15,17H,6-7H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate?
tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate has a molecular weight of 275.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-4-(2-hydroxypropan-2-yloxy)cyclopentyl]carbamate is sourced from PubChem (CID 123706193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).