2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid

C4H10N4O2 — CID 123261205

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

About 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid

2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid (PubChem CID 123261205) has the molecular formula C4H10N4O2 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid
PubChem CID123261205
Molecular FormulaC4H10N4O2
Molecular Weight146.15 g/mol
Exact Mass146.08
IUPAC Name2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid
SMILES[H]/N=C(\N)C(N)(CN)C(=O)O
InChIInChI=1S/C4H10N4O2/c5-1-4(8,2(6)7)3(9)10/h1,5,8H2,(H3,6,7)(H,9,10)
InChIKeyWLDUYPKUKOMKTA-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

(2S)-2-amino-2-carbamimidoylhexanoic acid
CID 91503247
2,3-diamino-2-benzyl-3-iminopropanoic acid;hydrochloride
CID 140515646
3-hydroxy-2,2-bis(hydroxymethyl)propanimidamide
CID 151214089
(2S)-2,3-diamino-2-(hydroxymethyl)-3-oxopropanoic acid
CID 69029304
2,2-diaminopropanimidamide
CID 87520938
2,3-diamino-2-sulfanylpropanoic acid
CID 91577489
2-carbamimidoyl-2-fluorobutanamide
CID 55288683
2,2,3,3,5-pentaamino-4-hydroxy-5-iminopentanoic acid
CID 91357310
(2-amino-2-iminoethyl)carbamic acid
CID 87487959
2-carbamimidoylsulfanylethyl carbamimidothioate;2,2,2-trifluoroacetic acid
CID 54607664
2-amino-2-methylpropanediimidamide;azane;cobalt(3+)
CID 6394921
2-amino-2-iodobutanoic acid
CID 19595827

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid?
The IUPAC name of 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid (CID 123261205) is 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid.
What is the SMILES notation for 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid?
The canonical SMILES for 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid is [H]/N=C(\N)C(N)(CN)C(=O)O.
What is the InChIKey of 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid?
The InChIKey is WLDUYPKUKOMKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4O2/c5-1-4(8,2(6)7)3(9)10/h1,5,8H2,(H3,6,7)(H,9,10).
What are the key properties of 2,3-diamino-2-(aminomethyl)-3-iminopropanoic acid?
2,3-diamino-2-(aminomethyl)-3-iminopropanoic 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-diamino-2-(aminomethyl)-3-iminopropanoic acid is sourced from PubChem (CID 123261205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).