200,000+ products from a single source!
sales@angenechem.com
102601-55-8 | Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-
CAS No: 102601-55-8 Catalog No: AG0007VO MDL No:
Product Description
Catalog Number:
AG0007VO
Chemical Name:
Benzoic acid, 2-[(1-carboxy-3-methylbutyl)amino]-6-(1-oxopropyl)-
CAS Number:
102601-55-8
Molecular Formula:
C16H21NO5
Molecular Weight:
307.3416
IUPAC Name:
2-[(1-carboxy-3-methylbutyl)amino]-6-propanoylbenzoic acid
InChI:
InChI=1S/C16H21NO5/c1-4-13(18)10-6-5-7-11(14(10)16(21)22)17-12(15(19)20)8-9(2)3/h5-7,9,12,17H,4,8H2,1-3H3,(H,19,20)(H,21,22)
InChI Key:
XAPOPSQDCLWKOB-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cccc(c1C(=O)O)NC(C(=O)O)CC(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
307.346g/mol
Monoisotopic Mass:
307.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.