2-[(tert-butoxycarbonyl)amino]-5-methoxybenzoic acid

2-[(tert-butoxycarbonyl)amino]-5-methoxybenzoic acid

CAS: 262614-64-2

Formula: C13H17NO5

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

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-5-methoxybenzoic acid

InChI: InChI=1S/C13H17NO5/c1-13(2,3)19-12(17)14-10-6-5-8(18-4)7-9(10)11(15)16/h5-7H,1-4H3,(H,14,17)(H,15,16)

Composition: C (58.42%), H (6.41%), N (5.24%), O (29.93%)

Molar Mass: 267.281

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.110672651
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	JBXGOBGRVPAQEQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.07
Topological Polar Surface Area	84.86
Polarizability	26.34
Ring Count	1
Rotatable Bond Count	5

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