2-amino-3-deuteriobutanedioic acid

C4H7NO4 — CID 119075971

IUPAC2-amino-3-deuteriobutanedioic acid
SMILES[2H]C(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1D
InChIKeyCKLJMWTZIZZHCS-MICDWDOJSA-N
MW134.11 g/mol
LogP-1.13
Rot. Bonds3

About 2-amino-3-deuteriobutanedioic acid

2-amino-3-deuteriobutanedioic acid (PubChem CID 119075971) has the molecular formula C4H7NO4 and a molecular weight of 134.11 g/mol. Its IUPAC name is 2-amino-3-deuteriobutanedioic acid.

Molecular Properties

Compound Name2-amino-3-deuteriobutanedioic acid
PubChem CID119075971
Molecular FormulaC4H7NO4
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name2-amino-3-deuteriobutanedioic acid
SMILES[2H]C(C(=O)O)C(N)C(=O)O
InChIInChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1D
InChIKeyCKLJMWTZIZZHCS-MICDWDOJSA-N
XLogP-1.13
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-2,3-dideuteriobutanedioic acid
CID 25241352
(2S,4S)-2-amino-4-deuterio-4-hydroxybutanoic acid
CID 165359351
(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid
CID 175703900
(2S)-2-amino-3,3,4,4-tetradeuterio-4-hydroxybutanoic acid
CID 169441451
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
CID 131864134
CID 131864134
tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
2-aminobutanedioic acid;selane
CID 174828111
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-deuteriobutanedioic acid?
The IUPAC name of 2-amino-3-deuteriobutanedioic acid (CID 119075971) is 2-amino-3-deuteriobutanedioic acid.
What is the SMILES notation for 2-amino-3-deuteriobutanedioic acid?
The canonical SMILES for 2-amino-3-deuteriobutanedioic acid is [2H]C(C(=O)O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-deuteriobutanedioic acid?
The InChIKey is CKLJMWTZIZZHCS-MICDWDOJSA-N. The full InChI is InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/i1D.
What are the key properties of 2-amino-3-deuteriobutanedioic acid?
2-amino-3-deuteriobutanedioic acid has a molecular weight of 134.11 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-deuteriobutanedioic acid is sourced from PubChem (CID 119075971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).