(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid

(2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid

CAS: 10148-71-7

Formula: C6H13NO3

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

IUPAC: (2S,3R)-2-amino-3-hydroxy-4-methylpentanoic acid

InChI: InChI=1S/C6H13NO3/c1-3(2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)/t4-,5+/m0/s1

Composition: C (48.97%), H (8.90%), N (9.52%), O (32.61%)

Molar Mass: 147.174

Atom Count: 23

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	147.089543283
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	ZAYJDMWJYCTABM-CRCLSJGQSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.46
Topological Polar Surface Area	83.55
Polarizability	14.5
Ring Count	0
Rotatable Bond Count	3

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