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147650-70-2 molecular structure
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(2S)-piperazine-2-carboxylic acid

ChemBase ID: 67884
Molecular Formular: C5H10N2O2
Molecular Mass: 130.1451
Monoisotopic Mass: 130.07422757
SMILES and InChIs

SMILES:
N1[C@@H](CNCC1)C(=O)O
Canonical SMILES:
OC(=O)[C@@H]1CNCCN1
InChI:
InChI=1S/C5H10N2O2/c8-5(9)4-3-6-1-2-7-4/h4,6-7H,1-3H2,(H,8,9)/t4-/m0/s1
InChIKey:
JSSXHAMIXJGYCS-BYPYZUCNSA-N

Cite this record

CBID:67884 http://www.chembase.cn/molecule-67884.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-piperazine-2-carboxylic acid
IUPAC Traditional name
(2S)-piperazine-2-carboxylic acid
Synonyms
(S)-Piperazine-2-carboxylic acid
(2S)-2-Carboxypiperazine
(2S)-Piperazine-2-carboxylic acid
CAS Number
147650-70-2
MDL Number
MFCD01318684
PubChem SID
162033619
PubChem CID
1502069

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 1502069 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.314084  H Acceptors
H Donor LogD (pH = 5.5) -3.6862261 
LogD (pH = 7.4) -3.5154152  Log P -3.5175667 
Molar Refractivity 31.2787 cm3 Polarizability 12.82288 Å3
Polar Surface Area 61.36 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
Irritant expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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