4-(1-amino-1-carboxyethyl)benzoic acid

4-(1-amino-1-carboxyethyl)benzoic acid

CAS: 146669-29-6

Formula: C10H11NO4

SMILES: CC(N)(C(O)=O)C1=CC=C(C=C1)C(O)=O

IUPAC: 4-(1-amino-1-carboxyethyl)benzoic acid

InChI: InChI=1/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)

Composition: C (57.41%), H (5.30%), N (6.70%), O (30.59%)

Molar Mass: 209.201

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	209.068807838
Formal Charge	0
FSP3	0.2
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	DNCAZYRLRMTVSF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.33
Topological Polar Surface Area	100.62
Polarizability	20.27
Ring Count	1
Rotatable Bond Count	3

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