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

C7H12ClNO2 — CID 45265238

IUPACcis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1C[C@@H](N)[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-2-5(7(9)10)6(8)3-4;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeySWRJAYRNZLIDMU-RIHPBJNCSA-N
MW177.63 g/mol
LogP0.79
Rot. Bonds1

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

cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 45265238) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
PubChem CID45265238
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namecis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
SMILESC=C1C[C@@H](N)[C@@H](C(=O)O)C1.Cl
InChIInChI=1S/C7H11NO2.ClH/c1-4-2-5(7(9)10)6(8)3-4;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m0./s1
InChIKeySWRJAYRNZLIDMU-RIHPBJNCSA-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-methyl (1R,2S)-2-amino-4-methylidenecyclopentane-1-carboxylate;hydrochloride
CID 45262154
cis-(1R,2S)-2-amino-3-methyl-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45262168
(2S)-2-[[(1R,2S)-2-amino-4-methylidenecyclopentanecarbonyl]amino]-4-methylpentanoic acid
CID 5275678
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
trans-(1R,2R)-2-amino-3-methylidenecyclopentane-1-carboxylic acid;hydrochloride
CID 45265300
3-methyl-5-methylidenecyclohexane-1-carboxylic acid
CID 123924101
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
(3S,4R)-4-aminopyrrolidine-3-carboxylic acid;dihydrochloride
CID 11424235
3-methylidenecyclopentane-1-carboxylic acid
CID 18614353

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride (CID 45265238) is cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride is C=C1C[C@@H](N)[C@@H](C(=O)O)C1.Cl.
What is the InChIKey of cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is SWRJAYRNZLIDMU-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H11NO2.ClH/c1-4-2-5(7(9)10)6(8)3-4;/h5-6H,1-3,8H2,(H,9,10);1H/t5-,6+;/m0./s1.
What are the key properties of cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride?
cis-(1S,2R)-2-amino-4-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 cis-(1S,2R)-2-amino-4-methylidenecyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 45265238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).