methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride

C9H16ClNO2 — CID 178190128

IUPACmethyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2C[C@H](N)[C@H]2C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)6-2-5-4-8(10)7(5)3-6;/h5-8H,2-4,10H2,1H3;1H/t5-,6?,7-,8-;/m0./s1
InChIKeyUFXVDKKOELRHID-VCLNLQAUSA-N
MW205.68 g/mol
LogP0.95
Rot. Bonds1

About methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride

methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride (PubChem CID 178190128) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
PubChem CID178190128
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride
SMILESCOC(=O)C1C[C@H]2C[C@H](N)[C@H]2C1.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-9(11)6-2-5-4-8(10)7(5)3-6;/h5-8H,2-4,10H2,1H3;1H/t5-,6?,7-,8-;/m0./s1
InChIKeyUFXVDKKOELRHID-VCLNLQAUSA-N
XLogP0.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride with MolForge

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Related Compounds

ethyl 6-aminobicyclo[3.2.0]heptane-3-carboxylate
CID 165451948
methyl (1R,3S,4S)-3-amino-4-hydroxycyclopentane-1-carboxylate;hydrochloride
CID 68685176
methyl 5-carbamoyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 166848927
methyl 5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalene-2-carboxylate
CID 105441123
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 172613050
methyl 3-(methylamino)cyclobutane-1-carboxylate
CID 122164415
dimethyl (3R)-5-acetylcyclohexane-1,3-dicarboxylate
CID 135297796
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
methyl (2R,3aR,5S,7aS)-5-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-indene-2-carboxylate
CID 124857523
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 6-oxabicyclo[3.1.0]hexane-3-carboxylate
CID 13173315

Frequently Asked Questions

What is the IUPAC name of methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride?
The IUPAC name of methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride (CID 178190128) is methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride?
The canonical SMILES for methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride is COC(=O)C1C[C@H]2C[C@H](N)[C@H]2C1.Cl.
What is the InChIKey of methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride?
The InChIKey is UFXVDKKOELRHID-VCLNLQAUSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-9(11)6-2-5-4-8(10)7(5)3-6;/h5-8H,2-4,10H2,1H3;1H/t5-,6?,7-,8-;/m0./s1.
What are the key properties of methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride?
methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1S,5S,6S)-6-aminobicyclo[3.2.0]heptane-3-carboxylate;hydrochloride is sourced from PubChem (CID 178190128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).