trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 56971751

IUPACtrans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5-;/m0./s1
InChIKeyLVBDVNLIEHCCTP-FHAQVOQBSA-N
MW165.62 g/mol
LogP0.62
Rot. Bonds1

About trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride

trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 56971751) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
PubChem CID56971751
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Nametrans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@H]1CCC[C@@H]1C(=O)O
InChIInChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5-;/m0./s1
InChIKeyLVBDVNLIEHCCTP-FHAQVOQBSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
CID 2725066
trans-(1S,2S)-2-aminocycloheptane-1-carboxylic acid;hydrochloride
CID 131632809
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid
CID 2724639
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
cis-(1R,2S)-2-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1S,2R)-2-aminocyclopentane-1-carboxamide;hydrochloride
CID 122236355
2-[(2-aminocyclohexanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 64851846
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
(2R)-2-amino-3-hydroxycyclohexane-1-carboxylic acid
CID 130643029
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride (CID 56971751) is trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride is Cl.N[C@H]1CCC[C@@H]1C(=O)O.
What is the InChIKey of trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is LVBDVNLIEHCCTP-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c7-5-3-1-2-4(5)6(8)9;/h4-5H,1-3,7H2,(H,8,9);1H/t4-,5-;/m0./s1.
What are the key properties of trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride?
trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 56971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).