Z-Aib-OH

CAT: 0127-OR1015434-01Size: 25 gDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1015434-01Size:25 g

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

15030-72-5

MDL Number

MFCD00127691

Purity

98%

Smiles

CC(C)(NC(=O)OCc1ccccc1)C(=O)O

Chemical Information

N-((Benzyloxy)carbonyl)-2-methylalanine

CAS Number	15030-72-5
PubChem CID	294936
IUPAC Name	2-methyl-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C12H15NO4
Molecular Weight	237.25
XLogP	1.6
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	282

SMILES

CC(C)(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO4/c1-12(2,10(14)15)13-11(16)17-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,13,16)(H,14,15)

InChIKey

QKVCSJBBYNYZNM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15030-72-5

CID: 294936

Formula: C12H15NO4

MW: 237.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.25
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	237.10010796
Monoisotopic Mass	237.10010796
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes