cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride

C8H14ClNO2 — CID 45262168

IUPACcis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1C[C@@H](C(=O)O)[C@@H](N)C1C.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-4-3-6(8(10)11)7(9)5(4)2;/h5-7H,1,3,9H2,2H3,(H,10,11);1H/t5?,6-,7+;/m1./s1
InChIKeyXVIHAYSIHAJNQN-ABIAQHQTSA-N
MW191.66 g/mol
LogP1.03
Rot. Bonds1

About cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride

cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 45262168) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
PubChem CID45262168
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Namecis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1C[C@@H](C(=O)O)[C@@H](N)C1C.Cl
InChIInChI=1S/C8H13NO2.ClH/c1-4-3-6(8(10)11)7(9)5(4)2;/h5-7H,1,3,9H2,2H3,(H,10,11);1H/t5?,6-,7+;/m1./s1
InChIKeyXVIHAYSIHAJNQN-ABIAQHQTSA-N
XLogP1.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride (CID 45262168) is cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride is C=C1C[C@@H](C(=O)O)[C@@H](N)C1C.Cl.
What is the InChIKey of cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is XVIHAYSIHAJNQN-ABIAQHQTSA-N. The full InChI is InChI=1S/C8H13NO2.ClH/c1-4-3-6(8(10)11)7(9)5(4)2;/h5-7H,1,3,9H2,2H3,(H,10,11);1H/t5?,6-,7+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45262168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).