(S)-β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid Methyl Ester - CAS 32975-59-0
Catalog: |
BB076534 |
Product Name: |
(S)-β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid Methyl Ester |
CAS: |
32975-59-0 |
Synonyms: |
N-Benzyl (S)-β-(Carboxyamino)-hydrocinnamic Acid Methyl Ester |
IUPAC Name: | methyl (3S)-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate |
Description: | (S)-β-[[(Phenylmethoxy)carbonyl]amino]-benzenepropanoic Acid Methyl Ester (cas# 32975-59-0) is a compound useful in organic synthesis. |
Molecular Weight: | 313.35 |
Molecular Formula: | C18H19NO4 |
Canonical SMILES: | COC(=O)CC(C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2 |
InChI: | InChI=1S/C18H19NO4/c1-22-17(20)12-16(15-10-6-3-7-11-15)19-18(21)23-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m0/s1 |
InChI Key: | CWWDOSGINLYWIK-INIZCTEOSA-N |
Solubility: | Dichloromethane, Methanol |
Appearance: | Off-White Solid |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 313.13140809 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 313.13140809 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 64.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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