Home > Compound List > Compound details
1217862-95-7 molecular structure
click picture or here to close

2-(3-hydroxypiperidin-1-yl)acetic acid

ChemBase ID: 308108
Molecular Formular: C7H13NO3
Molecular Mass: 159.18302
Monoisotopic Mass: 159.08954328
SMILES and InChIs

SMILES:
N1(CC(=O)O)CC(O)CCC1
Canonical SMILES:
OC1CCCN(C1)CC(=O)O
InChI:
InChI=1S/C7H13NO3/c9-6-2-1-3-8(4-6)5-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKey:
FVWNVXIYNYGOAS-UHFFFAOYSA-N

Cite this record

CBID:308108 http://www.chembase.cn/molecule-308108.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-hydroxypiperidin-1-yl)acetic acid
IUPAC Traditional name
(3-hydroxypiperidin-1-yl)acetic acid
Synonyms
(3-hydroxy-1-piperidinyl)acetic acid
CAS Number
1217862-95-7
MDL Number
MFCD14649137

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 4027494 external link Add to cart
Data Source Data ID Price
ChemBridge
4027494 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2860637  LogD (pH = 7.4) -3.288265 
Log P -3.2860928  Molar Refractivity 39.5762 cm3
Polarizability 15.618866 Å3 Polar Surface Area 60.77 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle