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(S)-Alpha-Methylhippuric Acid

CAT: 0572-TRC-M312045-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M312045-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2198-64-3
Synonyms
N-Benzoyl-L-alanine; (S)-N-Benzoylalanine; L-N-Benzoylalanine; N-Benzoyl-L-alanine; N-Benzoyl-alpha-alanine; N-Benzoylalanine; NSC 167298; NSC 43124; alpha-Methylhippuric Acid
Hazard Statement
No Data Available
Smiles
C[C@H](NC(=O)c1ccccc1)C(=O)O
Molecular Formula
C10H11NO3
Molecular Weight
193.2
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

N-benzoyl-L-alanine

N-benzoyl-L-alanine is an N-acyl-L-alanine resulting from the formal condensation of L-alanine with the carboxy group of benzoic acid. It has a role as a metabolite. It is a N-benzoylalanine and a N-acyl-L-alanine.

CAS Number2198-64-3
PubChem CID709778
IUPAC Name(2S)-2-benzamidopropanoic acid
Molecular FormulaC10H11NO3
Molecular Weight193.20
XLogP1.2
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity221
SMILES
C[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11NO3/c1-7(10(13)14)11-9(12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKey
UAQVHNZEONHPQG-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of N-benzoyl-L-alanine
CAS: 2198-64-3
CID: 709778
Formula: C10H11NO3
MW: 193.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight193.20
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass193.07389321
Monoisotopic Mass193.07389321
Topological Polar Surface Area66.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity221
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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