Boc-DL-m-tyrosine

CAT: 0926-ZGA73296-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZGA73296-01Size:0.5 g

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CAS Number

174732-96-8

MDL Number

MFCD02682297

Smiles

CC (C) (C) OC (=O) NC (CC1=CC (=CC=C1) O) C (=O) O

Molecular Formula

C14H19NO5

Molecular Weight

281.31 g/mol

Controlled

Chemical Information

Boc-DL-m-tyrosine

CAS Number	174732-96-8
PubChem CID	13890118
IUPAC Name	3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C14H19NO5
Molecular Weight	281.30
XLogP	1.5
Topological Polar Surface Area	95.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	350

SMILES

CC(C)(C)OC(=O)NC(CC1=CC(=CC=C1)O)C(=O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-5-4-6-10(16)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18)

InChIKey

FABANBOJFXYSHH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 174732-96-8

CID: 13890118

Formula: C14H19NO5

MW: 281.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.30
XLogP3	1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	281.12632271
Monoisotopic Mass	281.12632271
Topological Polar Surface Area	95.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
WIA07778-01	Boc-3-fluoro-DL-tyrosine
FM66494-01	DL-α-Methyl-m-tyrosine
SFA12148	Boc-DL-Leucinol
UFA18613	Boc-Dl-Cha-OH
WFA51435	Boc-DL-homoserine lactone
BJB65336	Boc-aza-DL-leucine
M-5185-01	Alpha-Methyl-DL-tyrosine
FF52304-01	3-Fluoro-DL-tyrosine
CAA90177	N-Acetyl-dl-tyrosine
FH107894-01	H-DL-delta-Hydroxy-DL-Lys (Boc) -OH