Boc-D-Abu-OH

CAT: 0127-OR962377-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR962377-01Size:25 g

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

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CAS Number

45121-22-0

MDL Number

MFCD00270335

Purity

98%

Smiles

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

Chemical Information

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

CAS Number	45121-22-0
PubChem CID	2755936
IUPAC Name	(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Molecular Formula	C9H17NO4
Molecular Weight	203.24
XLogP	1.5
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[C@H](C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H17NO4/c1-5-6(7(11)12)10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1

InChIKey

PNFVIPIQXAIUAY-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 45121-22-0

CID: 2755936

Formula: C9H17NO4

MW: 203.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	203.24
XLogP3	1.5
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	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
A-4175.0001	Boc-D-Abu-OH
5-04515	Boc-D-Abu-OH·DCHA
MBS405275-01	Boc-D-Abu-OH; DCHA
5-04514	Boc-D-3-Abu-OH
A-1135.0025	Boc-Abu-OH
4007074.0005	Boc-γ-Abu-OH
sc-234137	Boc-D-Abu-OH (dicyclohexylammonium) salt
5-04528	Boc-DL-Abu-OH
A-1140.0005	Boc-g-Abu-OH
5-04501	Boc-Abu-OH·DCHA