cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride

C8H14ClNO2 — CID 45262154

IUPACcis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
SMILESC=C1C[C@H](N)[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(7(9)4-5)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1
InChIKeyUDGRCXLTERRWDH-HHQFNNIRSA-N
MW191.66 g/mol
LogP0.87
Rot. Bonds1

About cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride

cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride (PubChem CID 45262154) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
PubChem CID45262154
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namecis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
SMILESC=C1C[C@H](N)[C@H](C(=O)OC)C1.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-5-3-6(7(9)4-5)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1
InChIKeyUDGRCXLTERRWDH-HHQFNNIRSA-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 2-methyl-4-methylidenecyclopentane-1-carboxylate
CID 565539
cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265238
trans-methyl (1S,2S)-4-methylidene-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 124527040
trans-methyl (1S,2S)-2-aminocyclohexane-1-carboxylate;hydrochloride
CID 91754378
trans-methyl (1S,2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 57027626
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969
methyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
CID 95434652

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride (CID 45262154) is cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride is C=C1C[C@H](N)[C@H](C(=O)OC)C1.Cl.
What is the InChIKey of cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride?
The InChIKey is UDGRCXLTERRWDH-HHQFNNIRSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-5-3-6(7(9)4-5)8(10)11-2;/h6-7H,1,3-4,9H2,2H3;1H/t6-,7+;/m1./s1.
What are the key properties of cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride?
cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-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 cis-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 45262154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).