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1-amino-4-methoxycyclohexane-1-carboxylic acid

1-amino-4-methoxycyclohexane-1-carboxylic acid

CAS: 1192066-93-5

Formula: C8H15NO3

SMILES: COC1CCC(N)(CC1)C(O)=O

IUPAC: 1-amino-4-methoxycyclohexane-1-carboxylic acid

InChI: InChI=1S/C8H15NO3/c1-12-6-2-4-8(9,5-3-6)7(10)11/h6H,2-5,9H2,1H3,(H,10,11)

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 0
Exact Mass 173.105193347
Formal Charge 0
FSP3 0.87
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CZDTYMLTDRWGBJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.48
Topological Polar Surface Area 72.55
Polarizability 17.51
Ring Count 1
Rotatable Bond Count 2

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