2-amino-4-(hydrazinylmethylideneamino)butanoic acid

C5H12N4O2 — CID 3014815

IUPAC2-amino-4-(hydrazinylmethylideneamino)butanoic acid
SMILESNN/C=N/CCC(N)C(=O)O
InChIInChI=1S/C5H12N4O2/c6-4(5(10)11)1-2-8-3-9-7/h3-4H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyFEOGQHIHLDRZBR-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.72
Rot. Bonds5

About 2-amino-4-(hydrazinylmethylideneamino)butanoic acid

2-amino-4-(hydrazinylmethylideneamino)butanoic acid (PubChem CID 3014815) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-amino-4-(hydrazinylmethylideneamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(hydrazinylmethylideneamino)butanoic acid
PubChem CID3014815
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-amino-4-(hydrazinylmethylideneamino)butanoic acid
SMILESNN/C=N/CCC(N)C(=O)O
InChIInChI=1S/C5H12N4O2/c6-4(5(10)11)1-2-8-3-9-7/h3-4H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyFEOGQHIHLDRZBR-UHFFFAOYSA-N
XLogP-1.72
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
CID 156772994
(2R)-2-amino-5-[(ethylsulfanylamino)methylideneamino]pentanoic acid
CID 54237615
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-4-(diaminomethylideneamino)butanoic acid
CID 11389551
(2S)-2-amino-4-(hydrazinylmethylideneamino)pent-4-enoic acid
CID 88570354
[(3R)-3-(15N)azanyl-3-hydroxycarbonyl(1,2,3-13C3)propyl]imino-iminoazanium
CID 169436389
[(3S)-3-amino-3-carboxypropyl]imino-iminoazanium
CID 137348962
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2R)-2-amino(311C)pentanoic acid
CID 55291456
2-aminopentanedioic acid;hexanedihydrazide
CID 175294666

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(hydrazinylmethylideneamino)butanoic acid?
The IUPAC name of 2-amino-4-(hydrazinylmethylideneamino)butanoic acid (CID 3014815) is 2-amino-4-(hydrazinylmethylideneamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(hydrazinylmethylideneamino)butanoic acid?
The canonical SMILES for 2-amino-4-(hydrazinylmethylideneamino)butanoic acid is NN/C=N/CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(hydrazinylmethylideneamino)butanoic acid?
The InChIKey is FEOGQHIHLDRZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c6-4(5(10)11)1-2-8-3-9-7/h3-4H,1-2,6-7H2,(H,8,9)(H,10,11).
What are the key properties of 2-amino-4-(hydrazinylmethylideneamino)butanoic acid?
2-amino-4-(hydrazinylmethylideneamino)butanoic acid has a molecular weight of 160.18 g/mol, XLogP of -1.72, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(hydrazinylmethylideneamino)butanoic acid is sourced from PubChem (CID 3014815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).