(3S)-3-amino-4,5-dioxopentanoic acid

C5H7NO4 — CID 89053272

IUPAC(3S)-3-amino-4,5-dioxopentanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)C=O
InChIInChI=1S/C5H7NO4/c6-3(1-5(9)10)4(8)2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
InChIKeyJEWAWKSBCZNKEW-VKHMYHEASA-N
MW145.11 g/mol
LogP-1.44
Rot. Bonds4

About (3S)-3-amino-4,5-dioxopentanoic acid

(3S)-3-amino-4,5-dioxopentanoic acid (PubChem CID 89053272) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (3S)-3-amino-4,5-dioxopentanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4,5-dioxopentanoic acid
PubChem CID89053272
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(3S)-3-amino-4,5-dioxopentanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)C=O
InChIInChI=1S/C5H7NO4/c6-3(1-5(9)10)4(8)2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1
InChIKeyJEWAWKSBCZNKEW-VKHMYHEASA-N
XLogP-1.44
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
(Z)-5-amino-4-oxohept-2-enedioic acid
CID 150051706
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
(3R)-3-amino-4-oxo-4-prop-2-enoxybutanoic acid
CID 142645674
CID 173060561
CID 173060561

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4,5-dioxopentanoic acid?
The IUPAC name of (3S)-3-amino-4,5-dioxopentanoic acid (CID 89053272) is (3S)-3-amino-4,5-dioxopentanoic acid.
What is the SMILES notation for (3S)-3-amino-4,5-dioxopentanoic acid?
The canonical SMILES for (3S)-3-amino-4,5-dioxopentanoic acid is N[C@@H](CC(=O)O)C(=O)C=O.
What is the InChIKey of (3S)-3-amino-4,5-dioxopentanoic acid?
The InChIKey is JEWAWKSBCZNKEW-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO4/c6-3(1-5(9)10)4(8)2-7/h2-3H,1,6H2,(H,9,10)/t3-/m0/s1.
What are the key properties of (3S)-3-amino-4,5-dioxopentanoic acid?
(3S)-3-amino-4,5-dioxopentanoic acid has a molecular weight of 145.11 g/mol, XLogP of -1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4,5-dioxopentanoic acid is sourced from PubChem (CID 89053272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).