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34218-76-3 molecular structure
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2-amino-5-carbamoylpentanoic acid

ChemBase ID: 169930
Molecular Formular: C6H12N2O3
Molecular Mass: 160.17108
Monoisotopic Mass: 160.08479225
SMILES and InChIs

SMILES:
NC(=O)CCCC(N)C(=O)O
Canonical SMILES:
NC(=O)CCCC(C(=O)O)N
InChI:
InChI=1S/C6H12N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H2,8,9)(H,10,11)
InChIKey:
YZJSUQQZGCHHNQ-UHFFFAOYSA-N

Cite this record

CBID:169930 http://www.chembase.cn/molecule-169930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-carbamoylpentanoic acid
IUPAC Traditional name
2-amino-5-carbamoylpentanoic acid
Synonyms
6-Oxolysine
DL-5-Carbamoylnorvaline
6-Amino-6-oxonorleucine
5-(Aminocarbonyl)norvaline
D,L-Homoglutamine
CAS Number
34218-76-3
PubChem SID
162264062
PubChem CID
4153392

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC H593490 external link Add to cart
PubChem 4153392 external link
Data Source Data ID Price
TRC
H593490 external link Add to cart Please log in.
Data Source Data ID
PubChem 4153392 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.2604327  H Acceptors
H Donor LogD (pH = 5.5) -3.556305 
LogD (pH = 7.4) -3.562106  Log P -3.5563297 
Molar Refractivity 37.7109 cm3 Polarizability 15.131784 Å3
Polar Surface Area 106.41 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Colorless Solid expand Show data source
Melting Point
173-177°C expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Hellberg, S., et al.: J. Med. Chem., 30, 1126 (1987)
  • • Blondelle, S., et al.: Antimicrob. Agents Chemother., 38, 2280 (1987)
  • • Jiracek, J., et al.: J. Biol. Chem., 270, 21701(1987)
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PATENTS

PATENTS

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INTERNET

INTERNET

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