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15519-86-5 molecular structure
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(2Z)-3-[(2-hydroxyethyl)carbamoyl]prop-2-enoic acid

ChemBase ID: 170574
Molecular Formular: C6H9NO4
Molecular Mass: 159.13996
Monoisotopic Mass: 159.05315777
SMILES and InChIs

SMILES:
C(=C\C(=O)NCCO)\C(=O)O
Canonical SMILES:
OCCNC(=O)/C=C\C(=O)O
InChI:
InChI=1S/C6H9NO4/c8-4-3-7-5(9)1-2-6(10)11/h1-2,8H,3-4H2,(H,7,9)(H,10,11)/b2-1-
InChIKey:
YWZDWRATWVGEFU-UPHRSURJSA-N

Cite this record

CBID:170574 http://www.chembase.cn/molecule-170574.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2Z)-3-[(2-hydroxyethyl)carbamoyl]prop-2-enoic acid
IUPAC Traditional name
(2Z)-3-[(2-hydroxyethyl)carbamoyl]prop-2-enoic acid
Synonyms
Maleic Acid Monoethanolamide
N-(2-Hydroxyethyl)maleamic Acid
CAS Number
15519-86-5
PubChem SID
164226484
PubChem CID
5356394

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H942210 external link Add to cart
PubChem 5356394 external link
Data Source Data ID Price
TRC
H942210 external link Add to cart Please log in.
Data Source Data ID
PubChem 5356394 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 3.4321678  H Acceptors
H Donor LogD (pH = 5.5) -3.3735893 
LogD (pH = 7.4) -4.709536  Log P -1.3142829 
Molar Refractivity 37.6182 cm3 Polarizability 14.051604 Å3
Polar Surface Area 86.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
Sticky Waxy Solid expand Show data source
Melting Point
75°C expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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