3-amino-4-hydrazinyl-4-oxobutanoic acid

C4H9N3O3 — CID 18780182

IUPAC3-amino-4-hydrazinyl-4-oxobutanoic acid
SMILESNNC(=O)C(N)CC(=O)O
InChIInChI=1S/C4H9N3O3/c5-2(1-3(8)9)4(10)7-6/h2H,1,5-6H2,(H,7,10)(H,8,9)
InChIKeyCIACKBGCPLLQLG-UHFFFAOYSA-N
MW147.13 g/mol
LogP-2.22
Rot. Bonds3

About 3-amino-4-hydrazinyl-4-oxobutanoic acid

3-amino-4-hydrazinyl-4-oxobutanoic acid (PubChem CID 18780182) has the molecular formula C4H9N3O3 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-amino-4-hydrazinyl-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-hydrazinyl-4-oxobutanoic acid
PubChem CID18780182
Molecular FormulaC4H9N3O3
Molecular Weight147.13 g/mol
Exact Mass147.06
IUPAC Name3-amino-4-hydrazinyl-4-oxobutanoic acid
SMILESNNC(=O)C(N)CC(=O)O
InChIInChI=1S/C4H9N3O3/c5-2(1-3(8)9)4(10)7-6/h2H,1,5-6H2,(H,7,10)(H,8,9)
InChIKeyCIACKBGCPLLQLG-UHFFFAOYSA-N
XLogP-2.22
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-2.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-amino-4-hydrazinyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-4-hydrazinyl-4-oxobutanoic acid;dihydrochloride
CID 138991140
2-aminobutanedihydrazide
CID 13018203
(3S)-3-amino-4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutanoic acid
CID 22791850
4-amino-5-hydrazinyl-5-oxopentanoic acid
CID 19915596
(2S)-2-[(2-amino-3-carboxypropanoyl)amino]butanedioic acid
CID 87433801
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
(3R)-3-amino-4-[[(2R)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 174458193
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
(3S)-3-amino-4-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 175971563
(3S)-3-amino-4-(2-carboxyethylamino)-4-oxobutanoic acid
CID 7019995
3-amino-4-(ethoxyamino)-4-oxobutanoic acid
CID 64974788
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 175785788

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydrazinyl-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-hydrazinyl-4-oxobutanoic acid (CID 18780182) is 3-amino-4-hydrazinyl-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-hydrazinyl-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-hydrazinyl-4-oxobutanoic acid is NNC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-hydrazinyl-4-oxobutanoic acid?
The InChIKey is CIACKBGCPLLQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O3/c5-2(1-3(8)9)4(10)7-6/h2H,1,5-6H2,(H,7,10)(H,8,9).
What are the key properties of 3-amino-4-hydrazinyl-4-oxobutanoic acid?
3-amino-4-hydrazinyl-4-oxobutanoic acid has a molecular weight of 147.13 g/mol, XLogP of -2.22, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydrazinyl-4-oxobutanoic acid is sourced from PubChem (CID 18780182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).