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7175-34-0 molecular structure
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(2R)-2-amino-3-(methyl-C-hydroxycarbonimidoyl)propanoic acid

ChemBase ID: 812920
Molecular Formular: C5H10N2O3
Molecular Mass: 146.1445
Monoisotopic Mass: 146.06914219
SMILES and InChIs

SMILES:
OC(=NC)C[C@H](C(=O)O)N
Canonical SMILES:
CN=C(C[C@H](C(=O)O)N)O
InChI:
InChI=1S/C5H10N2O3/c1-7-4(8)2-3(6)5(9)10/h3H,2,6H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKey:
CFRMVEKWKKDNAH-GSVOUGTGSA-N

Cite this record

CBID:812920 http://www.chembase.cn/molecule-812920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-(methyl-C-hydroxycarbonimidoyl)propanoic acid
IUPAC Traditional name
(2R)-2-amino-3-(methyl-C-hydroxycarbonimidoyl)propanoic acid
Synonyms
(R)-2-AMINO-N-METHYL-SUCCINAMIC ACID
CAS Number
7175-34-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33687 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33687 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) -5.2540793  Log P -4.4569836 
Molar Refractivity 33.7733 cm3 Polarizability 13.277963 Å3
Polar Surface Area 95.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true  Acid pKa 1.8764462 
H Acceptors H Donor
LogD (pH = 5.5) -4.4460335 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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