(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid

C4H7NO4 — CID 175703900

IUPAC(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid
SMILES[2H]OC(=O)C[C@@H](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)/t2-/m1/s1/i/hD
InChIKeyCKLJMWTZIZZHCS-PPKZYVLXSA-N
MW134.11 g/mol
LogP-1.13
Rot. Bonds3

About (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid

(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid (PubChem CID 175703900) has the molecular formula C4H7NO4 and a molecular weight of 134.11 g/mol. Its IUPAC name is (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid
PubChem CID175703900
Molecular FormulaC4H7NO4
Molecular Weight134.11 g/mol
Exact Mass134.04
IUPAC Name(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid
SMILES[2H]OC(=O)C[C@@H](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)/t2-/m1/s1/i/hD
InChIKeyCKLJMWTZIZZHCS-PPKZYVLXSA-N
XLogP-1.13
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
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 ≤ 104

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Related Compounds

tris(2-aminobutanedioic acid);iron(3+)
CID 10456673
2-aminobutanedioic acid;selane
CID 174828111
2-(15N)azanyl(113C)butanedioic acid;hydrochloride
CID 171689483
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178
2-aminobutanedioic acid;molybdenum
CID 76550864
azanium (2S)-2-aminobutanedioic acid
CID 10130050
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
CID 131864134
CID 131864134
(2R)-2-aminobutanedioic acid;zinc;hydrate
CID 156758175
2-aminobutanedioic acid;carbamic acid
CID 87364941
calcium;2-aminobutanedioic acid;hydron
CID 173271568
CID 173060561
CID 173060561

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid (CID 175703900) is (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid is [2H]OC(=O)C[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid?
The InChIKey is CKLJMWTZIZZHCS-PPKZYVLXSA-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)/t2-/m1/s1/i/hD.
What are the key properties of (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid?
(2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid has a molecular weight of 134.11 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-deuteriooxy-4-oxobutanoic acid is sourced from PubChem (CID 175703900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).