(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid

C4H9NO3 — CID 169441451

IUPAC(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
SMILES[2H]C([2H])(O)C([2H])([2H])[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i1D2,2D2
InChIKeyUKAUYVFTDYCKQA-ZNWYHXRZSA-N
MW123.14 g/mol
LogP-1.22
Rot. Bonds3

About (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid

(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid (PubChem CID 169441451) has the molecular formula C4H9NO3 and a molecular weight of 123.14 g/mol. Its IUPAC name is (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
PubChem CID169441451
Molecular FormulaC4H9NO3
Molecular Weight123.14 g/mol
Exact Mass123.08
IUPAC Name(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
SMILES[2H]C([2H])(O)C([2H])([2H])[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i1D2,2D2
InChIKeyUKAUYVFTDYCKQA-ZNWYHXRZSA-N
XLogP-1.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.14
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,3,4,4-tetradeuterio-4-sulfanylbutanoic acid
CID 171381617
(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
CID 165359351
(2S)-2-amino-4,4-dideuteriopentanoic acid
CID 158119315
(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-deuteriobutanedioic acid
CID 119075971
(2R)-2-amino-3-(1,1,2,2,3,3-hexadeuterio-3-hydroxypropyl)sulfanylpropanoic acid
CID 121225333
CID 157089134
CID 157089134
2-amino-4,4,5,5,5-pentadeuteriopentanoic acid
CID 171036198
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid (CID 169441451) is (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid is [2H]C([2H])(O)C([2H])([2H])[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid?
The InChIKey is UKAUYVFTDYCKQA-ZNWYHXRZSA-N. The full InChI is InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1/i1D2,2D2.
What are the key properties of (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid?
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid has a molecular weight of 123.14 g/mol, XLogP of -1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid is sourced from PubChem (CID 169441451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).