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155-84-0 molecular structure
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(2S)-5-carbamimidamido-2-acetamidopentanoic acid

ChemBase ID: 1752
Molecular Formular: C8H16N4O3
Molecular Mass: 216.23764
Monoisotopic Mass: 216.12224039
SMILES and InChIs

SMILES:
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Canonical SMILES:
NC(=N)NCCC[C@@H](C(=O)O)NC(=O)C
InChI:
InChI=1S/C8H16N4O3/c1-5(13)12-6(7(14)15)3-2-4-11-8(9)10/h6H,2-4H2,1H3,(H,12,13)(H,14,15)(H4,9,10,11)/t6-/m0/s1
InChIKey:
SNEIUMQYRCDYCH-LURJTMIESA-N

Cite this record

CBID:1752 http://www.chembase.cn/molecule-1752.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-5-carbamimidamido-2-acetamidopentanoic acid
IUPAC Traditional name
N-acetyl-L-arginine
N~2~-acetyl-L-arginine
Synonyms
N-Alpha-L-Acetyl-Arginine
2-Acetamido-5-Guanidinovaleric acid
N-ACETYL-L-ARGININE DIHYDRATE
(S)-2-Acetamido-5-guanidinopentanoic acid
CAS Number
155-84-0
EC Number
205-846-6
MDL Number
MFCD00150285
PubChem SID
160965208
46508435
PubChem CID
67427

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 3.682092  H Acceptors
H Donor LogD (pH = 5.5) -3.3204677 
LogD (pH = 7.4) -3.3151064  Log P -3.3150728 
Molar Refractivity 63.3669 cm3 Polarizability 20.33157 Å3
Polar Surface Area 128.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
Log P -1.73  LOG S -2.45 
Solubility (Water) 7.67e-01 g/l 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
0°C expand Show data source
MSDS Link
Download expand Show data source
Purity
95+% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals DrugBank DrugBank
DrugBank - DB01985 external link
Drug information: experimental

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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