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(3S)-6,6-dimethylmorpholine-3-carboxylic acid

(3S)-6,6-dimethylmorpholine-3-carboxylic acid

CAS: 783349-44-0

Formula: C7H13NO3

SMILES: CC1(C)CN[C@@H](CO1)C(O)=O

IUPAC: (3S)-6,6-dimethylmorpholine-3-carboxylic acid

InChI: InChI=1S/C7H13NO3/c1-7(2)4-8-5(3-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m0/s1

Composition: C (52.82%), H (8.23%), N (8.80%), O (30.15%)

Molar Mass: 159.185

Atom Count: 24

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 159.089543283
Formal Charge 0
FSP3 0.86
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey GNGXTWQIBWAVCJ-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.65
Topological Polar Surface Area 58.56
Polarizability 15.69
Ring Count 1
Rotatable Bond Count 1

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