methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 146346373

IUPACmethyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](N)C=C1C.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(9)4-7(5)8(10)11-2;/h3,6-7H,4,9H2,1-2H3;1H/t6-,7+;/m0./s1
InChIKeyYUANRPBMELITLM-UOERWJHTSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds1

About methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride

methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride (PubChem CID 146346373) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride
PubChem CID146346373
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namemethyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1C[C@@H](N)C=C1C.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(9)4-7(5)8(10)11-2;/h3,6-7H,4,9H2,1-2H3;1H/t6-,7+;/m0./s1
InChIKeyYUANRPBMELITLM-UOERWJHTSA-N
XLogP0.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (1R,4S)-4-aminocyclopent-2-ene-1-carboxylate hydrochloride
CID 12899910
(1S,4R)-Methyl 4-aminocyclopent-2-enecarboxylate hydrochloride
CID 60152708
rac-methyl (1R,2S)-2-aminocyclohex-3-ene-1-carboxylate hydrochloride
CID 69060013
rac-methyl (1R,5R)-5-aminocyclohex-2-ene-1-carboxylate hydrochloride
CID 146049677
methyl (1S,4S)-4-aminocyclopent-2-ene-1-carboxylate hydrochloride
CID 155977928
Methyl 4-aminocyclopent-2-ene-1-carboxylate hydrochloride
CID 18538082
(1R,4S)-methyl 4-aminocyclopent-2-enecarboxylate
CID 11412436
methyl (1R,5R)-5-aminocyclohex-2-ene-1-carboxylate
CID 146049678
(1S,4R)-methyl 4-aminocyclopent-2-enecarboxylate
CID 9857193
Methyl 2-amino-5-methylcyclohex-3-ene-1-carboxylate
CID 10176308
Methyl 4-aminocyclopent-2-ene-1-carboxylate
CID 12899909
Methyl 2-aminocyclohex-3-ene-1-carboxylate
CID 19736063

Frequently Asked Questions

What is the IUPAC name of methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride?
The IUPAC name of methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride (CID 146346373) is methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride is COC(=O)[C@@H]1C[C@@H](N)C=C1C.Cl.
What is the InChIKey of methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride?
The InChIKey is YUANRPBMELITLM-UOERWJHTSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-5-3-6(9)4-7(5)8(10)11-2;/h3,6-7H,4,9H2,1-2H3;1H/t6-,7+;/m0./s1.
What are the key properties of methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride?
methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,4R)-4-amino-2-methylcyclopent-2-ene-1-carboxylate;hydrochloride is sourced from PubChem (CID 146346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).