Home Carboxys 2-(1H-1,2,3,4-tetrazole-5-amido)cyclopentane-1-carboxylic acid

2-(1H-1,2,3,4-tetrazole-5-amido)cyclopentane-1-carboxylic acid

CAS No.:
1538359-40-8
Catalog Number:
AG01B5JA
Molecular Formula:
C8H11N5O3
Molecular Weight:
225.2046
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Product Description
Catalog Number:
AG01B5JA
Chemical Name:
2-(1H-1,2,3,4-tetrazole-5-amido)cyclopentane-1-carboxylic acid
CAS Number:
1538359-40-8
Molecular Formula:
C8H11N5O3
Molecular Weight:
225.2046
MDL Number:
MFCD23884239
IUPAC Name:
2-(2H-tetrazole-5-carbonylamino)cyclopentane-1-carboxylic acid
InChI:
InChI=1S/C8H11N5O3/c14-7(6-10-12-13-11-6)9-5-3-1-2-4(5)8(15)16/h4-5H,1-3H2,(H,9,14)(H,15,16)(H,10,11,12,13)
InChI Key:
OFZHUHPOFSGOCH-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCC1NC(=O)c1nnn[nH]1
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.086g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
225.208g/mol
Monoisotopic Mass:
225.086g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties