Name: Name:2-(adamantan-1-ylformamido)-3-phenylpropanoic acid
Brand: Angene
SKU: AG019O17
Rating: 90 (10 reviews)

2-(adamantan-1-ylformamido)-3-phenylpropanoic acid

CAS No.:

1397003-14-3

Catalog Number:

AG019O17

Molecular Formula:

C20H25NO3

Molecular Weight:

327.4174

Catalog Number:

AG019O17

Chemical Name:

2-(adamantan-1-ylformamido)-3-phenylpropanoic acid

CAS Number:

1397003-14-3

Molecular Formula:

C20H25NO3

Molecular Weight:

327.4174

MDL Number:

MFCD01847035

IUPAC Name:

2-(adamantane-1-carbonylamino)-3-phenylpropanoic acid

InChI:

InChI=1S/C20H25NO3/c22-18(23)17(9-13-4-2-1-3-5-13)21-19(24)20-10-14-6-15(11-20)8-16(7-14)12-20/h1-5,14-17H,6-12H2,(H,21,24)(H,22,23)

InChI Key:

CPOZZGCEUIQCFV-UHFFFAOYSA-N

SMILES:

OC(=O)C(NC(=O)C12CC3CC(C2)CC(C1)C3)Cc1ccccc1

Complexity:

468

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.183g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.424g/mol

Monoisotopic Mass:

327.183g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7