methyl (3S)-3-amino-3-phenylpropanoate

methyl (3S)-3-amino-3-phenylpropanoate

CAS: 37088-66-7

Formula: C10H13NO2

SMILES: COC(=O)C[C@H](N)C1=CC=CC=C1

IUPAC: methyl (3S)-3-amino-3-phenylpropanoate

InChI: InChI=1S/C10H13NO2/c1-13-10(12)7-9(11)8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1

Composition: C (67.02%), H (7.31%), N (7.82%), O (17.85%)

Molar Mass: 179.219

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	179.094628663
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XKIOBYHZFPTKCZ-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.75
Topological Polar Surface Area	52.32
Polarizability	19.98
Ring Count	1
Rotatable Bond Count	4

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