Z-Cha-OH

CAT: 0024-sc-331954ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-331954ASize:5 g

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CAS Number

25341-42-8

Chemical Information

(S)-2-(((Benzyloxy)carbonyl)amino)-3-cyclohexylpropanoic acid

CAS Number	25341-42-8
PubChem CID	14158015
IUPAC Name	(2S)-3-cyclohexyl-2-(phenylmethoxycarbonylamino)propanoic acid
Molecular Formula	C17H23NO4
Molecular Weight	305.4
XLogP	4.2
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	22
Formal Charge	0
Complexity	360

SMILES

C1CCC(CC1)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14/h2,5-6,9-10,13,15H,1,3-4,7-8,11-12H2,(H,18,21)(H,19,20)/t15-/m0/s1

InChIKey

MNABZONTQXNLDT-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 25341-42-8

CID: 14158015

Formula: C17H23NO4

MW: 305.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	305.4
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	305.16270821
Monoisotopic Mass	305.16270821
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360
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