Z-D-Chg-OH

CAT: 0024-sc-224397Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-224397Size:1 g

Selected

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

Quick Request Actions

CAS Number

69901-85-5

Chemical Information

(2R)-{[(Benzyloxy)carbonyl]amino}(cyclohexyl)acetic acid

CAS Number	69901-85-5
PubChem CID	14510026
IUPAC Name	(2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetic acid
Molecular Formula	C16H21NO4
Molecular Weight	291.34
XLogP	3.4
Topological Polar Surface Area	75.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	346

SMILES

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

InChI

InChI=1S/C16H21NO4/c18-15(19)14(13-9-5-2-6-10-13)17-16(20)21-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-14H,2,5-6,9-11H2,(H,17,20)(H,18,19)/t14-/m1/s1

InChIKey

CUSYTUPJAYLNFQ-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 69901-85-5

CID: 14510026

Formula: C16H21NO4

MW: 291.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.34
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	291.14705815
Monoisotopic Mass	291.14705815
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	346
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