(1R,2S) -VU0155041 5mg

CAT: 0628-A21933-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A21933-5Size:5 mg

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CAS Number

1263273-14-8

Chemical Information

VU0155041

an mGluR4 agonist

CAS Number	1263273-14-8
PubChem CID	888023
IUPAC Name	cis-(1R,2S)-2-[(3,5-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Molecular Formula	C14H15Cl2NO3
Molecular Weight	316.2
XLogP	3.4
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	367

SMILES

C1CC[C@H]([C@H](C1)C(=O)NC2=CC(=CC(=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C14H15Cl2NO3/c15-8-5-9(16)7-10(6-8)17-13(18)11-3-1-2-4-12(11)14(19)20/h5-7,11-12H,1-4H2,(H,17,18)(H,19,20)/t11-,12+/m0/s1

InChIKey

VSMUYYFJVFSVCA-NWDGAFQWSA-N

Chemical Structure

2D Structure

CAS: 1263273-14-8

CID: 888023

Formula: C14H15Cl2NO3

MW: 316.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	316.2
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	315.0428987
Monoisotopic Mass	315.0428987
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	367
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