Home Carboxys 4-(carbamoylamino)cyclohexane-1-carboxylic acid, Mixture of diastereomers

4-(carbamoylamino)cyclohexane-1-carboxylic acid, Mixture of diastereomers

CAS No.:
1183094-41-8
Catalog Number:
AG019WZ8
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
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Product Description
Catalog Number:
AG019WZ8
Chemical Name:
4-(carbamoylamino)cyclohexane-1-carboxylic acid, Mixture of diastereomers
CAS Number:
1183094-41-8
Molecular Formula:
C8H14N2O3
Molecular Weight:
186.2084
MDL Number:
MFCD12156991
IUPAC Name:
4-(carbamoylamino)cyclohexane-1-carboxylic acid
InChI:
InChI=1S/C8H14N2O3/c9-8(13)10-6-3-1-5(2-4-6)7(11)12/h5-6H,1-4H2,(H,11,12)(H3,9,10,13)
InChI Key:
DRGYUAHMQCQWQJ-UHFFFAOYSA-N
SMILES:
NC(=O)NC1CCC(CC1)C(=O)O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.1g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
186.211g/mol
Monoisotopic Mass:
186.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties