2-aminoguanidine;4-oxopentanoic acid;hydrochloride

C6H15ClN4O3 — CID 174454338

IUPAC2-aminoguanidine;4-oxopentanoic acid;hydrochloride
SMILESCC(=O)CCC(=O)O.Cl.NN=C(N)N
InChIInChI=1S/C5H8O3.CH6N4.ClH/c1-4(6)2-3-5(7)8;2-1(3)5-4;/h2-3H2,1H3,(H,7,8);4H2,(H4,2,3,5);1H
InChIKeyJYOWHVCXEKXDRA-UHFFFAOYSA-N
MW226.66 g/mol
LogP-1.00
Rot. Bonds3

About 2-aminoguanidine;4-oxopentanoic acid;hydrochloride

2-aminoguanidine;4-oxopentanoic acid;hydrochloride (PubChem CID 174454338) has the molecular formula C6H15ClN4O3 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-aminoguanidine;4-oxopentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-aminoguanidine;4-oxopentanoic acid;hydrochloride
PubChem CID174454338
Molecular FormulaC6H15ClN4O3
Molecular Weight226.66 g/mol
Exact Mass226.08
IUPAC Name2-aminoguanidine;4-oxopentanoic acid;hydrochloride
SMILESCC(=O)CCC(=O)O.Cl.NN=C(N)N
InChIInChI=1S/C5H8O3.CH6N4.ClH/c1-4(6)2-3-5(7)8;2-1(3)5-4;/h2-3H2,1H3,(H,7,8);4H2,(H4,2,3,5);1H
InChIKeyJYOWHVCXEKXDRA-UHFFFAOYSA-N
XLogP-1.00
TPSA144.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 5-1.00
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

4-oxopentanoic acid;zinc
CID 87190982
dicalcium;hydride;bis(4-oxopentanoic acid)
CID 174942614
acetamide;butanedioic acid
CID 175267619
butanoic acid;4-oxopentanoic acid
CID 87275354
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
hexane-2,5-dione
CID 8035
butanedioic acid;hydrochloride
CID 87113713
sodium;4-oxopentanoate;4-oxopentanoic acid
CID 159759335
ethane-1,2-diol;4-oxopentanoic acid;bis(2-sulfanylacetic acid)
CID 174753066
2-aminoguanidine;urea
CID 87270498
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;zinc;dihydrate
CID 175420905

Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;4-oxopentanoic acid;hydrochloride?
The IUPAC name of 2-aminoguanidine;4-oxopentanoic acid;hydrochloride (CID 174454338) is 2-aminoguanidine;4-oxopentanoic acid;hydrochloride.
What is the SMILES notation for 2-aminoguanidine;4-oxopentanoic acid;hydrochloride?
The canonical SMILES for 2-aminoguanidine;4-oxopentanoic acid;hydrochloride is CC(=O)CCC(=O)O.Cl.NN=C(N)N.
What is the InChIKey of 2-aminoguanidine;4-oxopentanoic acid;hydrochloride?
The InChIKey is JYOWHVCXEKXDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.CH6N4.ClH/c1-4(6)2-3-5(7)8;2-1(3)5-4;/h2-3H2,1H3,(H,7,8);4H2,(H4,2,3,5);1H.
What are the key properties of 2-aminoguanidine;4-oxopentanoic acid;hydrochloride?
2-aminoguanidine;4-oxopentanoic acid;hydrochloride has a molecular weight of 226.66 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;4-oxopentanoic acid;hydrochloride is sourced from PubChem (CID 174454338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).