(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol

C6H15NO — CID 140595878

IUPAC(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@@]([2H])(N)C(C)O
InChIInChI=1S/C6H15NO/c1-4(2)6(7)5(3)8/h4-6,8H,7H2,1-3H3/t5?,6-/m1/s1/i1D3,2D3,4D,6D
InChIKeyFIRTUOPMCHUEIX-QEYZORROSA-N
MW125.24 g/mol
LogP0.35
Rot. Bonds4

About (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol

(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol (PubChem CID 140595878) has the molecular formula C6H15NO and a molecular weight of 125.24 g/mol. Its IUPAC name is (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol.

Molecular Properties

Compound Name(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol
PubChem CID140595878
Molecular FormulaC6H15NO
Molecular Weight125.24 g/mol
Exact Mass125.17
IUPAC Name(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol
SMILES[2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@@]([2H])(N)C(C)O
InChIInChI=1S/C6H15NO/c1-4(2)6(7)5(3)8/h4-6,8H,7H2,1-3H3/t5?,6-/m1/s1/i1D3,2D3,4D,6D
InChIKeyFIRTUOPMCHUEIX-QEYZORROSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.24
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 90804830
(2R)-3-aminobutan-2-ol
CID 141331265
(2R,3R)-3-aminobutan-2-ol;hydron
CID 173377832
1-aminoethanol;dihydrate
CID 174522772
1,1,1,2-tetradeuterio-2-methylpropane
CID 148660145
(2S)-1-amino-1-chloropropan-2-ol
CID 90008112
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
1,1,2,3,3,3-hexadeuteriopropane-1,2-diol
CID 71309005
(2R)-2-deuterio-3-methylbutan-2-amine
CID 122205559
(2S)-2-amino-2,3,3,3-tetradeuterio(1,2,3-13C3)propanoic acid
CID 117059701
1-amino-1,1,2,3,3,3-hexadeuteriopropan-2-ol
CID 123598986
2-amino-3-deuterio-3-methylbutanoic acid
CID 59859246

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol?
The IUPAC name of (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol (CID 140595878) is (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol.
What is the SMILES notation for (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol?
The canonical SMILES for (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol is [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])[C@@]([2H])(N)C(C)O.
What is the InChIKey of (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol?
The InChIKey is FIRTUOPMCHUEIX-QEYZORROSA-N. The full InChI is InChI=1S/C6H15NO/c1-4(2)6(7)5(3)8/h4-6,8H,7H2,1-3H3/t5?,6-/m1/s1/i1D3,2D3,4D,6D.
What are the key properties of (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol?
(3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol has a molecular weight of 125.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3,4,5,5,5-pentadeuterio-4-(trideuteriomethyl)pentan-2-ol is sourced from PubChem (CID 140595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).