Boc-D-Orn-OH

CAT: 0024-sc-293756ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293756ASize:5 g

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CAS Number

159877-12-0

Chemical Information

(R)-5-Amino-2-((tert-butoxycarbonyl)amino)pentanoic acid

CAS Number	159877-12-0
PubChem CID	7019681
IUPAC Name	(2R)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
Molecular Formula	C10H20N2O4
Molecular Weight	232.28
XLogP	-1.9
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	16
Formal Charge	0
Complexity	248

SMILES

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

InChI

InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m1/s1

InChIKey

AMPVNPYPOOQUJF-SSDOTTSWSA-N

Chemical Structure

2D Structure

CAS: 159877-12-0

CID: 7019681

Formula: C10H20N2O4

MW: 232.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	232.28
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	232.14230712
Monoisotopic Mass	232.14230712
Topological Polar Surface Area	102 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	248
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