methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate

C8H13NO2 — CID 172613050

IUPACmethyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@@H]21
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-3-7(9)5-2-4(5)6/h4-7H,2-3,9H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyHVBLUBWAWWNPLU-BNHYGAARSA-N
MW155.20 g/mol
LogP0.14
Rot. Bonds1

About methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate

methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate (PubChem CID 172613050) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
PubChem CID172613050
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@@H]21
InChIInChI=1S/C8H13NO2/c1-11-8(10)6-3-7(9)5-2-4(5)6/h4-7H,2-3,9H2,1H3/t4-,5+,6-,7+/m0/s1
InChIKeyHVBLUBWAWWNPLU-BNHYGAARSA-N
XLogP0.14
TPSA52.32 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 ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate with MolForge

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Related Compounds

methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
CID 59065836
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
4-O-tert-butyl 2-O-methyl bicyclo[3.1.0]hexane-2,4-dicarboxylate
CID 53488450
cis-methyl (1S,2S)-2-(aminomethyl)cyclobutane-1-carboxylate
CID 55285846
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
CID 178190128
methyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
CID 95434652
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457

Frequently Asked Questions

What is the IUPAC name of methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate?
The IUPAC name of methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate (CID 172613050) is methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate.
What is the SMILES notation for methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate?
The canonical SMILES for methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate is COC(=O)[C@H]1C[C@@H](N)[C@@H]2C[C@@H]21.
What is the InChIKey of methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate?
The InChIKey is HVBLUBWAWWNPLU-BNHYGAARSA-N. The full InChI is InChI=1S/C8H13NO2/c1-11-8(10)6-3-7(9)5-2-4(5)6/h4-7H,2-3,9H2,1H3/t4-,5+,6-,7+/m0/s1.
What are the key properties of methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate?
methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate is sourced from PubChem (CID 172613050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).