Boc-DL-beta-Aib-OH

CAT: 0024-sc-326442Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-326442Size:1 g

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CAS Number

16948-10-0

Chemical Information

3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid

CAS Number	16948-10-0
PubChem CID	4192640
IUPAC Name	2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C9H17NO4
Molecular Weight	203.24
XLogP	1
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	219

SMILES

CC(CNC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)

InChIKey

GDQRNRYMFXDGMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16948-10-0

CID: 4192640

Formula: C9H17NO4

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	203.11575802
Monoisotopic Mass	203.11575802
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	219
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
sc-254989	Boc-Aib-OH
sc-326441	Boc-DL-beta-Abu-OH
sc-326441A	Boc-DL-beta-Abu-OH
sc-234159	Boc-DL-Val-OH
sc-326440A	Boc-DL-Asu-OH
sc-337592	Boc-DL-Pro-OH
sc-337592A	Boc-DL-Pro-OH
sc-326440	Boc-DL-Asu-OH
sc-472406	Z-Aib-OH
sc-285246A	Boc-trans-DL-beta-Pro-4- (phenyl) -OH