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Boc-2-nitro-L-phenylalanine

CAT: 0013-GTR19247493-01Size: 10 gDry Ice: NoHazardous: No
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Description
Boc-2-nitro-L-phenylalanine is a reagent used in biochemical reactions.
CAS Number
185146-84-3
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (N[C@H] (C (O) =O) CC1=C (C=CC=C1) [N+] ([O-]) =O) =O
Molecular Formula
C14H18N2O6
Molecular Weight
310.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
CAS Number185146-84-3
PubChem CID2761798
IUPAC Name(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-nitrophenyl)propanoic acid
Molecular FormulaC14H18N2O6
Molecular Weight310.30
XLogP2.3
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity426
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKey
BSHMNGMAJNWNBP-JTQLQIEISA-N
Chemical Structure
2D Structure
2D structure of (S)-2-((tert-Butoxycarbonyl)amino)-3-(2-nitrophenyl)propanoic acid
CAS: 185146-84-3
CID: 2761798
Formula: C14H18N2O6
MW: 310.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.30
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass310.11648630
Monoisotopic Mass310.11648630
Topological Polar Surface Area121 Ų
Heavy Atom Count22
Formal Charge0
Complexity426
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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