Boc-Phg (3-OMe) -OH

CAT: 0127-OR1102491-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1102491-01Size:100 mg

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CAS Number

1228557-42-3

Purity

95%

Smiles

O=C (O) [C@@H] (NC (OC (C) (C) C) =O) C1=CC=CC (OC) =C1

Chemical Information

Boc-(s)-2-amino-2-(3-methoxyphenyl)acetic acid

CAS Number	1228557-42-3
PubChem CID	72208593
IUPAC Name	(2S)-2-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Molecular Formula	C14H19NO5
Molecular Weight	281.30
XLogP	2.2
Topological Polar Surface Area	84.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	350

SMILES

CC(C)(C)OC(=O)N[C@@H](C1=CC(=CC=C1)OC)C(=O)O

InChI

InChI=1S/C14H19NO5/c1-14(2,3)20-13(18)15-11(12(16)17)9-6-5-7-10(8-9)19-4/h5-8,11H,1-4H3,(H,15,18)(H,16,17)/t11-/m0/s1

InChIKey

ZPMHSWFMWHVVHG-NSHDSACASA-N

Chemical Structure

2D Structure

CAS: 1228557-42-3

CID: 72208593

Formula: C14H19NO5

MW: 281.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.30
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	281.12632271
Monoisotopic Mass	281.12632271
Topological Polar Surface Area	84.9 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
F-1070.0250	Ac-Phg-OMe
F-2025.0100	H-Phg-OMe · HCl
H2360-01	H-PHG-OME HCL
5-05210	H-Phg-OMe·HCl
N-1890.0025	3,5-Difluorophenylacetyl-Ala-Phg-OMe
HY-W014824-01	H-D-Phg-OMe.HCl
5-05228	H-D-Phg-OMe·HCl
5-05731	Boc-Glu(OMe)-OMe
HY-42364-01	Boc-Glu (OMe) -OMe
A23714-100000	H-D-Phg-OMe.HCl 100g