4-hydrazinyl-5-oxohexanoic acid

C6H12N2O3 — CID 88944319

IUPAC4-hydrazinyl-5-oxohexanoic acid
SMILESCC(=O)C(CCC(=O)O)NN
InChIInChI=1S/C6H12N2O3/c1-4(9)5(8-7)2-3-6(10)11/h5,8H,2-3,7H2,1H3,(H,10,11)
InChIKeyVSBGZHVFHHUZKP-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds5

About 4-hydrazinyl-5-oxohexanoic acid

4-hydrazinyl-5-oxohexanoic acid (PubChem CID 88944319) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 4-hydrazinyl-5-oxohexanoic acid.

Molecular Properties

Compound Name4-hydrazinyl-5-oxohexanoic acid
PubChem CID88944319
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name4-hydrazinyl-5-oxohexanoic acid
SMILESCC(=O)C(CCC(=O)O)NN
InChIInChI=1S/C6H12N2O3/c1-4(9)5(8-7)2-3-6(10)11/h5,8H,2-3,7H2,1H3,(H,10,11)
InChIKeyVSBGZHVFHHUZKP-UHFFFAOYSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

ethane;(3S)-3-hydrazinyl-5-hydroxypentan-2-one
CID 145050521
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
3-hydrazinyl-6-(methylamino)hexan-2-one
CID 155029224
4-hydrazinyl-5-(octadecylamino)-5-oxopentanoic acid
CID 89316216
(4S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-5-oxopentanoic acid
CID 170261624
(2R)-2-acetamidopentanedioic acid
CID 161394708
4-[[(3S)-1-amino-4-oxopentan-3-yl]amino]-4-oxobutanoic acid
CID 121429263
(4S)-5-amino-4-(butan-2-ylamino)-5-oxopentanoic acid
CID 87360410
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
2-hydrazinyloctanedioic acid
CID 150661126
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-5-oxohexanoic acid?
The IUPAC name of 4-hydrazinyl-5-oxohexanoic acid (CID 88944319) is 4-hydrazinyl-5-oxohexanoic acid.
What is the SMILES notation for 4-hydrazinyl-5-oxohexanoic acid?
The canonical SMILES for 4-hydrazinyl-5-oxohexanoic acid is CC(=O)C(CCC(=O)O)NN.
What is the InChIKey of 4-hydrazinyl-5-oxohexanoic acid?
The InChIKey is VSBGZHVFHHUZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(9)5(8-7)2-3-6(10)11/h5,8H,2-3,7H2,1H3,(H,10,11).
What are the key properties of 4-hydrazinyl-5-oxohexanoic acid?
4-hydrazinyl-5-oxohexanoic acid has a molecular weight of 160.17 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-5-oxohexanoic acid is sourced from PubChem (CID 88944319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).