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

C5H8N2O4 — CID 131868745

IUPAC(2R)-2-amino-4-formamido-4-oxobutanoic acid
SMILESN[C@H](CC(=O)NC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c6-3(5(10)11)1-4(9)7-2-8/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m1/s1
InChIKeyOKZPOCMLEBLKFI-GSVOUGTGSA-N
MW160.13 g/mol
LogP-1.94
Rot. Bonds4

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

(2R)-2-amino-4-formamido-4-oxobutanoic acid (PubChem CID 131868745) has the molecular formula C5H8N2O4 and a molecular weight of 160.13 g/mol. Its IUPAC name is (2R)-2-amino-4-formamido-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-formamido-4-oxobutanoic acid
PubChem CID131868745
Molecular FormulaC5H8N2O4
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name(2R)-2-amino-4-formamido-4-oxobutanoic acid
SMILESN[C@H](CC(=O)NC=O)C(=O)O
InChIInChI=1S/C5H8N2O4/c6-3(5(10)11)1-4(9)7-2-8/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m1/s1
InChIKeyOKZPOCMLEBLKFI-GSVOUGTGSA-N
XLogP-1.94
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
4-formamido-2-methyl-4-oxobutanoic acid
CID 169139394
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
(2S)-2-amino-4-(hydroxymethylamino)-4-oxobutanoic acid
CID 87096185
2-aminobutanedioic acid;oxaldehydic acid
CID 146197472
2-aminobutanedioic acid;molybdenum
CID 76550864
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
tris((2S)-2-aminobutanedioic acid);phosphane
CID 172741864
azanium (2S)-2-aminobutanedioic acid
CID 10130050

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-formamido-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-4-formamido-4-oxobutanoic acid (CID 131868745) is (2R)-2-amino-4-formamido-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-formamido-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-4-formamido-4-oxobutanoic acid is N[C@H](CC(=O)NC=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-formamido-4-oxobutanoic acid?
The InChIKey is OKZPOCMLEBLKFI-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H8N2O4/c6-3(5(10)11)1-4(9)7-2-8/h2-3H,1,6H2,(H,10,11)(H,7,8,9)/t3-/m1/s1.
What are the key properties of (2R)-2-amino-4-formamido-4-oxobutanoic acid?
(2R)-2-amino-4-formamido-4-oxobutanoic acid has a molecular weight of 160.13 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-formamido-4-oxobutanoic acid is sourced from PubChem (CID 131868745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).