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Argatroban Impurity 19

CAT: 1299-RM-A070245-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A070245-01Size:10 mg
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CAS Number
1188-21-2
Synonyms
(S) -2-acetamido-4-methylpentanoic acid
Molecular Formula
C8H15NO3
Molecular Weight
173.21
Target Alternative Name
Argatroban
Product Name Synonym
(S) -2-acetamido-4-methylpentanoic acid

Chemical Information

N-Acetyl-L-leucine

N-acetyl-L-leucine is the N-acetyl derivative of L-leucine. It has a role as a metabolite. It is a N-acetyl-L-amino acid and a L-leucine derivative. It is a conjugate acid of a N-acetyl-L-leucinate. It is an enantiomer of a N-acetyl-D-leucine.

CAS Number1188-21-2
PubChem CID70912
IUPAC Name(2S)-2-acetamido-4-methylpentanoic acid
Molecular FormulaC8H15NO3
Molecular Weight173.21
XLogP0.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count12
Formal Charge0
Complexity177
SMILES
CC(C)C[C@@H](C(=O)O)NC(=O)C
InChI
InChI=1S/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t7-/m0/s1
InChIKey
WXNXCEHXYPACJF-ZETCQYMHSA-N
Chemical Structure
2D Structure
2D structure of N-Acetyl-L-leucine
CAS: 1188-21-2
CID: 70912
Formula: C8H15NO3
MW: 173.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight173.21
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass173.10519334
Monoisotopic Mass173.10519334
Topological Polar Surface Area66.4 Ų
Heavy Atom Count12
Formal Charge0
Complexity177
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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