tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate

C10H18N2O4 — CID 68963083

IUPACtert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)[C@H]2NOCC21
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-7(13)8-6(12)5-15-11-8/h6-8,11,13H,4-5H2,1-3H3/t6?,7?,8-/m0/s1
InChIKeyMYNNGNGTCRQVTI-RRQHEKLDSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds

About tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate

tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate (PubChem CID 68963083) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate
PubChem CID68963083
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)[C@H]2NOCC21
InChIInChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-7(13)8-6(12)5-15-11-8/h6-8,11,13H,4-5H2,1-3H3/t6?,7?,8-/m0/s1
InChIKeyMYNNGNGTCRQVTI-RRQHEKLDSA-N
XLogP-0.13
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate with MolForge

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Related Compounds

tert-butyl 4-hydroxy-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 130204248
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CID 130003112
ditert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-1,5-dicarboxylate
CID 10664049
tert-butyl (2S,3R)-3-hydroxy-2-methylazetidine-1-carboxylate
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CID 67119719
tert-butyl (2S,3R)-2-formyl-3-hydroxyazetidine-1-carboxylate
CID 131162965
tert-butyl (1S,4S)-5-hydroxy-2-azabicyclo[2.1.1]hexane-2-carboxylate
CID 155891978
tert-butyl 3-hydroxy-6-azabicyclo[3.2.0]heptane-6-carboxylate
CID 58739344
tert-butyl 4-amino-2-azabicyclo[4.1.0]heptane-2-carboxylate
CID 117045380
tert-butyl (8R,8aR)-7,8-dihydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate
CID 46783429
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl 3-acetyl-2-methylazetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate?
The IUPAC name of tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate (CID 68963083) is tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate.
What is the SMILES notation for tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate?
The canonical SMILES for tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate is CC(C)(C)OC(=O)N1CC(O)[C@H]2NOCC21.
What is the InChIKey of tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate?
The InChIKey is MYNNGNGTCRQVTI-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(2,3)16-9(14)12-4-7(13)8-6(12)5-15-11-8/h6-8,11,13H,4-5H2,1-3H3/t6?,7?,8-/m0/s1.
What are the key properties of tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate?
tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate has a molecular weight of 230.26 g/mol, XLogP of -0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6aS)-6-hydroxy-1,3,3a,5,6,6a-hexahydropyrrolo[3,2-c][1,2]oxazole-4-carboxylate is sourced from PubChem (CID 68963083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).