2,3,4-triamino-4-iminobutanoic acid

C4H10N4O2 — CID 89049146

IUPAC2,3,4-triamino-4-iminobutanoic acid
SMILES[H]/N=C(\N)C(N)C(N)C(=O)O
InChIInChI=1S/C4H10N4O2/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H3,7,8)(H,9,10)
InChIKeyLYCSYMHHNMNJLV-UHFFFAOYSA-N
MW146.15 g/mol
LogP-2.34
Rot. Bonds3

About 2,3,4-triamino-4-iminobutanoic acid

2,3,4-triamino-4-iminobutanoic acid (PubChem CID 89049146) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2,3,4-triamino-4-iminobutanoic acid.

Molecular Properties

Compound Name2,3,4-triamino-4-iminobutanoic acid
PubChem CID89049146
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name2,3,4-triamino-4-iminobutanoic acid
SMILES[H]/N=C(\N)C(N)C(N)C(=O)O
InChIInChI=1S/C4H10N4O2/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H3,7,8)(H,9,10)
InChIKeyLYCSYMHHNMNJLV-UHFFFAOYSA-N
XLogP-2.34
TPSA139.21 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-imino-2-methoxypropanoic acid
CID 87737958
3-amino-2-[[(3-amino-2-carboxy-3-iminopropyl)diazenyl]methyl]-3-iminopropanoic acid;hydrochloride
CID 87498740
2-methylpropanimidamide;hydrochloride
CID 2782053
(3-amino-2-carbamimidoyl-3-iminopropyl)carbamic acid
CID 141220669
2,5-dioxohexane-1,1,6,6-tetracarboximidamide
CID 87475133
(3S)-2-amino-3-sulfanylbutanoic acid
CID 118648902
2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid
CID 91357310
(2S)-2-amino-3-methylbutanoic acid;2-carbamimidoyl-1,1-dimethylguanidine;hydrochloride
CID 176527635
2,3-diaminopentanoic acid
CID 22719142
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
(2,3-diamino-3-carboxypropanoyl)oxyazanium
CID 152950216
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606

Frequently Asked Questions

What is the IUPAC name of 2,3,4-triamino-4-iminobutanoic acid?
The IUPAC name of 2,3,4-triamino-4-iminobutanoic acid (CID 89049146) is 2,3,4-triamino-4-iminobutanoic acid.
What is the SMILES notation for 2,3,4-triamino-4-iminobutanoic acid?
The canonical SMILES for 2,3,4-triamino-4-iminobutanoic acid is [H]/N=C(\N)C(N)C(N)C(=O)O.
What is the InChIKey of 2,3,4-triamino-4-iminobutanoic acid?
The InChIKey is LYCSYMHHNMNJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c5-1(3(7)8)2(6)4(9)10/h1-2H,5-6H2,(H3,7,8)(H,9,10).
What are the key properties of 2,3,4-triamino-4-iminobutanoic acid?
2,3,4-triamino-4-iminobutanoic acid has a molecular weight of 146.15 g/mol, XLogP of -2.34, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triamino-4-iminobutanoic acid is sourced from PubChem (CID 89049146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).