tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate

C15H25NO5 — CID 118144710

IUPACtert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H]2OC3(CCCC3)O[C@H]21
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-9-8-10(17)12-11(9)19-15(20-12)6-4-5-7-15/h9-12,17H,4-8H2,1-3H3,(H,16,18)/t9-,10+,11+,12-/m1/s1
InChIKeyROZWQRSDWARIQP-NOOOWODRSA-N
MW299.37 g/mol
LogP1.70
Rot. Bonds1

About tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate

tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate (PubChem CID 118144710) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate
PubChem CID118144710
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H]2OC3(CCCC3)O[C@H]21
InChIInChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-9-8-10(17)12-11(9)19-15(20-12)6-4-5-7-15/h9-12,17H,4-8H2,1-3H3,(H,16,18)/t9-,10+,11+,12-/m1/s1
InChIKeyROZWQRSDWARIQP-NOOOWODRSA-N
XLogP1.70
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1R,3S,4S,5S,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 10634091
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-(trifluoromethyl)cyclopropyl]carbamate
CID 126970282
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate?
The IUPAC name of tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate (CID 118144710) is tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H]2OC3(CCCC3)O[C@H]21.
What is the InChIKey of tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate?
The InChIKey is ROZWQRSDWARIQP-NOOOWODRSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)21-13(18)16-9-8-10(17)12-11(9)19-15(20-12)6-4-5-7-15/h9-12,17H,4-8H2,1-3H3,(H,16,18)/t9-,10+,11+,12-/m1/s1.
What are the key properties of tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate?
tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3aR,4S,6R,6aS)-4-hydroxyspiro[4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-2,1'-cyclopentane]-6-yl]carbamate is sourced from PubChem (CID 118144710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).