AG008IPC

Name: 3-methyl-2-[(phenylcarbamoyl)amino]butanoic acid
Brand: Angene Chemical
SKU: AG008IPC

827612-15-7 | 3-methyl-2-[(phenylcarbamoyl)amino]butanoic acid

AG008IPC

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CAS Number	827612-15-7
Catalog Number	AG008IPC(AGN-PC-0OIQR6)
Chemical Name	3-methyl-2-[(phenylcarbamoyl)amino]butanoic acid
IUPAC Name	(2S)-3-methyl-2-(phenylcarbamoylamino)butanoic acid
InChI	InChI=1S/C12H16N2O3/c1-8(2)10(11(15)16)14-12(17)13-9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,15,16)(H2,13,14,17)/t10-/m0/s1
InChI Key	IIJAEFRNONKHQP-JTQLQIEISA-N
MDL Number	MFCD00483843
Molecular Formula	C12H16N2O3
Molecular Weight	236.2670
SMILES	CC(C(C(O)=O)NC(NC1=CC=CC=C1)=O)C
Synonyms	AC1LDWI5, Valine, N-[(phenylamino)carbonyl]-, 827612-15-7, SCHEMBL10795899, CTK3D6423, DTXSID10350280, N-(Phenylaminocarbonyl)-L-valine, ZINC12382011, (2S)-3-methyl-2-(phenylcarbamoylamino)butanoic acid, 2-[(anilinocarbonyl)amino]-3-methylbutanoic acid, 84860-35-5,

Complexity	273
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	236.116g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	236.271g/mol
Monoisotopic Mass	236.116g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited