4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid

C8H19N5O3 — CID 174740096

IUPAC4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid
SMILESNNCCN(CCNN)C(=O)CCC(=O)O
InChIInChI=1S/C8H19N5O3/c9-11-3-5-13(6-4-12-10)7(14)1-2-8(15)16/h11-12H,1-6,9-10H2,(H,15,16)
InChIKeyMYEBCELYOYMUHE-UHFFFAOYSA-N
MW233.27 g/mol
LogP-2.39
Rot. Bonds9

About 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid

4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid (PubChem CID 174740096) has the molecular formula C8H19N5O3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid
PubChem CID174740096
Molecular FormulaC8H19N5O3
Molecular Weight233.27 g/mol
Exact Mass233.15
IUPAC Name4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid
SMILESNNCCN(CCNN)C(=O)CCC(=O)O
InChIInChI=1S/C8H19N5O3/c9-11-3-5-13(6-4-12-10)7(14)1-2-8(15)16/h11-12H,1-6,9-10H2,(H,15,16)
InChIKeyMYEBCELYOYMUHE-UHFFFAOYSA-N
XLogP-2.39
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-2.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[2-[2-[bis[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-[3-carboxypropanoyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]ethyl-[2-(2-methylpropanoylamino)ethyl]amino]-4-oxobutanoic acid
CID 132601810
5-hydrazinylpentanoic acid
CID 175506840
4-[ethyl-[3-(ethylamino)propyl]amino]-4-oxobutanoic acid
CID 142683451
4-[bis[3-(3,3-dimethylbutanoylamino)propyl]amino]-4-oxobutanoic acid
CID 102326203
3-[amino(carboxy)amino]propanoic acid
CID 123794055
bis(butanedioic acid);hydroxylamine
CID 174855273
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[bis[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 171613976
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 61041902
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-[(2-aminoacetyl)-(2-bromoethyl)amino]propanoic acid;ethane
CID 169180843
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid (CID 174740096) is 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid is NNCCN(CCNN)C(=O)CCC(=O)O.
What is the InChIKey of 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid?
The InChIKey is MYEBCELYOYMUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N5O3/c9-11-3-5-13(6-4-12-10)7(14)1-2-8(15)16/h11-12H,1-6,9-10H2,(H,15,16).
What are the key properties of 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid?
4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid has a molecular weight of 233.27 g/mol, XLogP of -2.39, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydrazinylethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 174740096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).