(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid

C6H13NO3 — CID 153447156

IUPAC(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid
SMILES[2H]C([2H])(O)[C@@]([2H])(NC(C)C)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)7-5(3-8)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t5-/m1/s1/i3D2,5D
InChIKeyJCCXFYFHSDUDJN-WPFLMHPGSA-N
MW150.19 g/mol
LogP-0.57
Rot. Bonds4

About (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid

(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid (PubChem CID 153447156) has the molecular formula C6H13NO3 and a molecular weight of 150.19 g/mol. Its IUPAC name is (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid
PubChem CID153447156
Molecular FormulaC6H13NO3
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid
SMILES[2H]C([2H])(O)[C@@]([2H])(NC(C)C)C(=O)O
InChIInChI=1S/C6H13NO3/c1-4(2)7-5(3-8)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t5-/m1/s1/i3D2,5D
InChIKeyJCCXFYFHSDUDJN-WPFLMHPGSA-N
XLogP-0.57
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
CID 13231155
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
2-[2-(propan-2-ylamino)propanoylamino]propanoic acid
CID 178159250
2-methyl-3-(propan-2-ylamino)butanoic acid
CID 79391925
(2S)-2-[acetyl(deuterio)amino]-2,3,3,4,5,5,5-heptadeuterio-4-methylpentanoic acid
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3-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 61317910
3-amino-2,3,3-trideuterio-2-methylpropanoic acid
CID 131869355
(2S)-2-(1,3-dihydroxypropan-2-ylamino)propanoic acid
CID 139900903
2-[[(1S)-1-carboxyethyl]amino]propanedioic acid
CID 87604666
2-deuterio-N-propan-2-ylpropan-2-amine
CID 11423564
4-oxo-2-(propan-2-ylamino)butanoic acid
CID 142578702
(2S)-2-acetamido-2,4,5,5,5-pentadeuterio-4-methylpentanoic acid
CID 163543432

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid?
The IUPAC name of (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid (CID 153447156) is (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid?
The canonical SMILES for (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid is [2H]C([2H])(O)[C@@]([2H])(NC(C)C)C(=O)O.
What is the InChIKey of (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid?
The InChIKey is JCCXFYFHSDUDJN-WPFLMHPGSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(2)7-5(3-8)6(9)10/h4-5,7-8H,3H2,1-2H3,(H,9,10)/t5-/m1/s1/i3D2,5D.
What are the key properties of (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid?
(2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid has a molecular weight of 150.19 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3-trideuterio-3-hydroxy-2-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 153447156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).