bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride

C12H26Cl2N2O5 — CID 2725066

IUPACbis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
SMILESCl.Cl.N[C@H]1CCC[C@H]1C(=O)O.N[C@H]1CCC[C@H]1C(=O)O.O
InChIInChI=1S/2C6H11NO2.2ClH.H2O/c2*7-5-3-1-2-4(5)6(8)9;;;/h2*4-5H,1-3,7H2,(H,8,9);2*1H;1H2/t2*4-,5+;;;/m11.../s1
InChIKeyXAVWJWKIXZQILW-HALBYODASA-N
MW349.26 g/mol
LogP0.42
Rot. Bonds2

About bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride

bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride (PubChem CID 2725066) has the molecular formula C12H26Cl2N2O5 and a molecular weight of 349.26 g/mol. Its IUPAC name is bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride.

Molecular Properties

Compound Namebis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
PubChem CID2725066
Molecular FormulaC12H26Cl2N2O5
Molecular Weight349.26 g/mol
Exact Mass348.12
IUPAC Namebis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride
SMILESCl.Cl.N[C@H]1CCC[C@H]1C(=O)O.N[C@H]1CCC[C@H]1C(=O)O.O
InChIInChI=1S/2C6H11NO2.2ClH.H2O/c2*7-5-3-1-2-4(5)6(8)9;;;/h2*4-5H,1-3,7H2,(H,8,9);2*1H;1H2/t2*4-,5+;;;/m11.../s1
InChIKeyXAVWJWKIXZQILW-HALBYODASA-N
XLogP0.42
TPSA158.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 56971751
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-aminocyclohexane-1-carboxylic acid;hydrobromide
CID 24751167
cis-(1R,2S)-2-aminocycloheptane-1-carboxylic acid;cis-(1S,2R)-2-aminocycloheptane-1-carboxylic acid
CID 127239829
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
calcium;cis-(1S,2R)-cyclohexane-1,2-dicarboxylic acid;hydride;hydrate
CID 175099769
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
(2-aminocyclopentyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 64816010

Frequently Asked Questions

What is the IUPAC name of bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride?
The IUPAC name of bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride (CID 2725066) is bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride.
What is the SMILES notation for bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride?
The canonical SMILES for bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride is Cl.Cl.N[C@H]1CCC[C@H]1C(=O)O.N[C@H]1CCC[C@H]1C(=O)O.O.
What is the InChIKey of bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride?
The InChIKey is XAVWJWKIXZQILW-HALBYODASA-N. The full InChI is InChI=1S/2C6H11NO2.2ClH.H2O/c2*7-5-3-1-2-4(5)6(8)9;;;/h2*4-5H,1-3,7H2,(H,8,9);2*1H;1H2/t2*4-,5+;;;/m11.../s1.
What are the key properties of bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride?
bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride has a molecular weight of 349.26 g/mol, XLogP of 0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cis-(1R,2S)-2-aminocyclopentane-1-carboxylic acid);hydrate;dihydrochloride is sourced from PubChem (CID 2725066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).