trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride

C7H12ClNO2 — CID 45265300

IUPACtrans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1CC[C@@H](C(=O)O)[C@H]1N.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-2-3-5(6(4)8)7(9)10;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyVKWHZFAMMFMTOL-IBTYICNHSA-N
MW177.63 g/mol
LogP0.79
Rot. Bonds1

About trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride

trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 45265300) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride
PubChem CID45265300
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Nametrans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1CC[C@@H](C(=O)O)[C@H]1N.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-2-3-5(6(4)8)7(9)10;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m1./s1
InChIKeyVKWHZFAMMFMTOL-IBTYICNHSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-amino-4-methylidenecyclohexane-1-carboxylic acid;hydrochloride
CID 45263933
2-amino-4-methylidenecyclohexane-1-carboxylic acid
CID 56674076
cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262168
cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265238
2-amino-4-methylcyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 19958299
2-fluoro-4-methylidenecyclohexane-1-carboxylic acid
CID 91026013
7-methylidene-3,4,4a,5,6,7a-hexahydro-1H-cyclopenta[c]pyran-4-carboxylic acid
CID 57070132
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(3R,4R)-4-amino-5-oxopyrrolidine-3-carboxylic acid;hydrochloride
CID 171921039
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride (CID 45265300) is trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride is C=C1CC[C@@H](C(=O)O)[C@H]1N.Cl.
What is the InChIKey of trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is VKWHZFAMMFMTOL-IBTYICNHSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-4-2-3-5(6(4)8)7(9)10;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m1./s1.
What are the key properties of trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45265300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).