3-[(tert-butoxycarbonyl)amino]-2-[(4-methoxyphenyl)methyl]propanoic acid

3-[(tert-butoxycarbonyl)amino]-2-[(4-methoxyphenyl)methyl]propanoic acid

CAS: 683218-95-3

Formula: C16H23NO5

SMILES: COC1=CC=C(CC(CNC(=O)OC(C)(C)C)C(O)=O)C=C1

IUPAC: 3-{[(tert-butoxy)carbonyl]amino}-2-[(4-methoxyphenyl)methyl]propanoic acid

InChI: InChI=1/C16H23NO5/c1-16(2,3)22-15(20)17-10-12(14(18)19)9-11-5-7-13(21-4)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,19)

Composition: C (62.12%), H (7.49%), N (4.53%), O (25.86%)

Molar Mass: 309.362

Atom Count: 45

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	309.157622845
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	RZILVXJBADJFIP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.31
Topological Polar Surface Area	84.86
Polarizability	31.87
Ring Count	1
Rotatable Bond Count	8

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