(2S)-2-acetamido-3-methylpentanoic acid

(2S)-2-acetamido-3-methylpentanoic acid

CAS: 3077-46-1

Formula: C8H15NO3

SMILES: CCC(C)[C@H](NC(C)=O)C(O)=O

IUPAC: (2S)-2-acetamido-3-methylpentanoic acid

InChI: InChI=1S/C8H15NO3/c1-4-5(2)7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)/t5?,7-/m0/s1

Composition: C (55.47%), H (8.73%), N (8.09%), O (27.71%)

Molar Mass: 173.212

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	173.105193347
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JDTWZSUNGHMMJM-MSZQBOFLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.54
Topological Polar Surface Area	66.4
Polarizability	17.25
Ring Count	0
Rotatable Bond Count	4

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