(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid

C4H9NO2 — CID 159995067

IUPAC(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
SMILES[2H][C@@H](N)C([2H])([2H])C([2H])([2H])C(=O)O
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i1D2,2D2,3D/t3-/m1/s1
InChIKeyBTCSSZJGUNDROE-HWAQIZDSSA-N
MW108.15 g/mol
LogP-0.19
Rot. Bonds3

About (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid

(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid (PubChem CID 159995067) has the molecular formula C4H9NO2 and a molecular weight of 108.15 g/mol. Its IUPAC name is (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
PubChem CID159995067
Molecular FormulaC4H9NO2
Molecular Weight108.15 g/mol
Exact Mass108.09
IUPAC Name(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid
SMILES[2H][C@@H](N)C([2H])([2H])C([2H])([2H])C(=O)O
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i1D2,2D2,3D/t3-/m1/s1
InChIKeyBTCSSZJGUNDROE-HWAQIZDSSA-N
XLogP-0.19
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3,3,4,4-hexadeuteriopentanedioic acid
CID 56845854
6-amino-2,2,3,3,4,4-hexadeuteriohexanoic acid
CID 46243937
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487
2,2,3,3,4-pentadeuterio-4-hydroxybutanoic acid
CID 73387054
3-amino-3-deuteriopropanoic acid
CID 11829360
2,2,3,3,4,4,5,5,6,6-decadeuterio-6-hydroxyhexanoic acid
CID 71309827
2,2,3,3,4,4,5,5,7,7,7-undecadeuterio-6-oxoheptanoic acid
CID 132990720
2,2-dideuteriobutanedioic acid
CID 87143155
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,24-heptatetracontadeuteriotetracosanoic acid
CID 102352988
CID 131878087
CID 131878087
2,2,3,3,4,4-hexadeuterio-4-(trideuteriomethylamino)butanoic acid
CID 87379327
6-amino-3,3,4,4,5,5,6,6-octadeuteriohexanoic acid
CID 46245160

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid?
The IUPAC name of (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid (CID 159995067) is (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid.
What is the SMILES notation for (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid?
The canonical SMILES for (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid is [2H][C@@H](N)C([2H])([2H])C([2H])([2H])C(=O)O.
What is the InChIKey of (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid?
The InChIKey is BTCSSZJGUNDROE-HWAQIZDSSA-N. The full InChI is InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)/i1D2,2D2,3D/t3-/m1/s1.
What are the key properties of (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid?
(4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid has a molecular weight of 108.15 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-2,2,3,3,4-pentadeuteriobutanoic acid is sourced from PubChem (CID 159995067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).