(3S)-3-amino-3-(naphthalen-1-yl)propanoic acid

(3S)-3-amino-3-(naphthalen-1-yl)propanoic acid

CAS: 275826-46-5

Formula: C13H13NO2

SMILES: N[C@@H](CC(O)=O)C1=CC=CC2=CC=CC=C12

IUPAC: (3S)-3-amino-3-(naphthalen-1-yl)propanoic acid

InChI: InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1

Composition: C (72.54%), H (6.09%), N (6.51%), O (14.87%)

Molar Mass: 215.252

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	215.094628663
Formal Charge	0
FSP3	0.15
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BIOQBKBTOAMMDG-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.44
Topological Polar Surface Area	63.32
Polarizability	25.42
Ring Count	2
Rotatable Bond Count	3

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