(2R)-2-amino-3-{[(4-methoxyphenyl)methyl]sulfanyl}propanoic acid

(2R)-2-amino-3-{[(4-methoxyphenyl)methyl]sulfanyl}propanoic acid

CAS: 2544-31-2

Formula: C11H15NO3S

SMILES: COC1=CC=C(CSC[C@H](N)C(O)=O)C=C1

IUPAC: (2R)-2-amino-3-{[(4-methoxyphenyl)methyl]sulfanyl}propanoic acid

InChI: InChI=1S/C11H15NO3S/c1-15-9-4-2-8(3-5-9)6-16-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1

Composition: C (54.75%), H (6.27%), N (5.80%), O (19.89%), S (13.29%)

Molar Mass: 241.31

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	241.077264521
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PQPZSPJVMUCVAQ-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	64
Topological Polar Surface Area	72.55
Polarizability	25.32
Ring Count	1
Rotatable Bond Count	6

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