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636-65-7 molecular structure
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(2S)-2-amino-5-oxohexanamide

ChemBase ID: 134049
Molecular Formular: C6H12N2O2
Molecular Mass: 144.17168
Monoisotopic Mass: 144.08987763
SMILES and InChIs

SMILES:
CC(=O)CC[C@@H](C(=O)N)N
Canonical SMILES:
CC(=O)CC[C@@H](C(=O)N)N
InChI:
InChI=1S/C6H12N2O2/c1-4(9)2-3-5(7)6(8)10/h5H,2-3,7H2,1H3,(H2,8,10)/t5-/m0/s1
InChIKey:
AULUINXDLCVMOX-YFKPBYRVSA-N

Cite this record

CBID:134049 http://www.chembase.cn/molecule-134049.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-amino-5-oxohexanamide
IUPAC Traditional name
(2S)-2-amino-5-oxohexanamide
Synonyms
L-Isoglutamine
L-Glutamic acid amide
CAS Number
636-65-7
MDL Number
MFCD00135661
PubChem SID
24895129
162228326
PubChem CID
16219403

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 16219403 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Log P -1.4091791  Molar Refractivity 36.661 cm3
Polarizability 14.624142 Å3 Polar Surface Area 86.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 16.13389  H Acceptors
H Donor LogD (pH = 5.5) -3.82509 
LogD (pH = 7.4) -2.132356 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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