Z-Ile-OH

CAT: 0024-sc-251445Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-251445Size:5 g

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CAS Number

3160-59-6

Chemical Information

N-[(Phenylmethoxy)carbonyl]-L-isoleucine

CAS Number	3160-59-6
PubChem CID	2724772
IUPAC Name	(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Molecular Formula	C14H19NO4
Molecular Weight	265.30
XLogP	2.8
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	19
Formal Charge	0
Complexity	300

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17)/t10-,12-/m0/s1

InChIKey

JSHXJPFZKBRLFU-JQWIXIFHSA-N

Chemical Structure

2D Structure

CAS: 3160-59-6

CID: 2724772

Formula: C14H19NO4

MW: 265.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.30
XLogP3	2.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	265.13140809
Monoisotopic Mass	265.13140809
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300
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