tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate

C10H17NO2 — CID 174102774

IUPACtert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate
SMILESC[C@@H]1C2N(C(=O)OC(C)(C)C)C21C
InChIInChI=1S/C10H17NO2/c1-6-7-10(6,5)11(7)8(12)13-9(2,3)4/h6-7H,1-5H3/t6-,7?,10?,11?/m1/s1
InChIKeyHCRRUHDQZQKEAS-JRVZNZQRSA-N
MW183.25 g/mol
LogP2.01
Rot. Bonds

About tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate

tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate (PubChem CID 174102774) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate
PubChem CID174102774
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nametert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate
SMILESC[C@@H]1C2N(C(=O)OC(C)(C)C)C21C
InChIInChI=1S/C10H17NO2/c1-6-7-10(6,5)11(7)8(12)13-9(2,3)4/h6-7H,1-5H3/t6-,7?,10?,11?/m1/s1
InChIKeyHCRRUHDQZQKEAS-JRVZNZQRSA-N
XLogP2.01
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 54594433
tert-butyl (4S,5S)-4-carbamoyl-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
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tert-butyl (2R)-3,3-dimethylaziridine-2-carboxylate
CID 124671307
tert-butyl (3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 6558904
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
tert-butyl 5-formyl-2,2-dimethylimidazolidine-1-carboxylate
CID 20626547
(2S)-5-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
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CID 70949192

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate?
The IUPAC name of tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate (CID 174102774) is tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate.
What is the SMILES notation for tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate?
The canonical SMILES for tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate is C[C@@H]1C2N(C(=O)OC(C)(C)C)C21C.
What is the InChIKey of tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate?
The InChIKey is HCRRUHDQZQKEAS-JRVZNZQRSA-N. The full InChI is InChI=1S/C10H17NO2/c1-6-7-10(6,5)11(7)8(12)13-9(2,3)4/h6-7H,1-5H3/t6-,7?,10?,11?/m1/s1.
What are the key properties of tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate?
tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-1,4-dimethyl-2-azabicyclo[1.1.0]butane-2-carboxylate is sourced from PubChem (CID 174102774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).