methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate

C8H13NO2 — CID 178103396

IUPACmethyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
SMILESCOC(=O)[C@H]1CC2CC2CN1
InChIInChI=1S/C8H13NO2/c1-11-8(10)7-3-5-2-6(5)4-9-7/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyPVOVRKPMSZFVJC-KPGICGJXSA-N
MW155.20 g/mol
LogP0.16
Rot. Bonds1

About methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate

methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate (PubChem CID 178103396) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
PubChem CID178103396
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
SMILESCOC(=O)[C@H]1CC2CC2CN1
InChIInChI=1S/C8H13NO2/c1-11-8(10)7-3-5-2-6(5)4-9-7/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1
InChIKeyPVOVRKPMSZFVJC-KPGICGJXSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
CID 163224942
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
CID 142076983
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 117269861
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate
CID 14036227
methyl (2S,4S)-4-(dimethylamino)pyrrolidine-2-carboxylate
CID 66880559

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate?
The IUPAC name of methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate (CID 178103396) is methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate.
What is the SMILES notation for methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate?
The canonical SMILES for methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate is COC(=O)[C@H]1CC2CC2CN1.
What is the InChIKey of methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate?
The InChIKey is PVOVRKPMSZFVJC-KPGICGJXSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)7-3-5-2-6(5)4-9-7/h5-7,9H,2-4H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate?
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate is sourced from PubChem (CID 178103396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).