Boc-Ile-Gly-OH

CAT: 0926-FB111213-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FB111213-01Size:10 g

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CAS Number

16257-05-9

MDL Number

MFCD00057800

Smiles

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

Molecular Formula

C13H24N2O5

Molecular Weight

288.34 g/mol

Controlled

Chemical Information

2-((2S,3S)-2-((tert-Butoxycarbonyl)amino)-3-methylpentanamido)acetic acid

CAS Number	16257-05-9
PubChem CID	7016051
IUPAC Name	2-[[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetic acid
Molecular Formula	C13H24N2O5
Molecular Weight	288.34
XLogP	0.9
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	20
Formal Charge	0
Complexity	362

SMILES

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

InChI

InChI=1S/C13H24N2O5/c1-6-8(2)10(11(18)14-7-9(16)17)15-12(19)20-13(3,4)5/h8,10H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/t8-,10-/m0/s1

InChIKey

OWJXXJTWCMKBCI-WPRPVWTQSA-N

Chemical Structure

2D Structure

CAS: 16257-05-9

CID: 7016051

Formula: C13H24N2O5

MW: 288.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	288.34
XLogP3	0.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	288.16852187
Monoisotopic Mass	288.16852187
Topological Polar Surface Area	105 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	362
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes