Name: Name:1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-
Brand: Angene
SKU: AG00IJ4N
Rating: 90 (10 reviews)

1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-

CAS No.:

954388-33-1

Catalog Number:

AG00IJ4N

Molecular Formula:

C18H24N2O6

Molecular Weight:

364.3930

Catalog Number:

AG00IJ4N

Chemical Name:

1,2,4-Piperazinetricarboxylicacid, 4-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)-

CAS Number:

954388-33-1

Molecular Formula:

C18H24N2O6

Molecular Weight:

364.3930

MDL Number:

MFCD04989721

IUPAC Name:

(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-phenylmethoxycarbonylpiperazine-2-carboxylic acid

InChI:

InChI=1S/C18H24N2O6/c1-18(2,3)26-16(23)19-9-10-20(14(11-19)15(21)22)17(24)25-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,21,22)/t14-/m1/s1

InChI Key:

MKXMXZZARNRMMQ-CQSZACIVSA-N

SMILES:

OC(=O)[C@H]1CN(CCN1C(=O)OCc1ccccc1)C(=O)OC(C)(C)C

Complexity:

524

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.398g/mol

Monoisotopic Mass:

364.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9