2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid

C10H22ClN7O9 — CID 159743667

IUPAC2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid
SMILESCCOC(=O)C(=O)Cl.NN=C(N)N.O=COO.[H]/N=C(\N)CNC(=O)C(=O)O.[H][H]
InChIInChI=1S/C4H5ClO3.C4H7N3O3.CH6N4.CH2O3.H2/c1-2-8-4(7)3(5)6;5-2(6)1-7-3(8)4(9)10;2-1(3)5-4;2-1-4-3;/h2H2,1H3;1H2,(H3,5,6)(H,7,8)(H,9,10);4H2,(H4,2,3,5);1,3H;1H
InChIKeyNCTXIXQSLDWUMF-UHFFFAOYSA-N
MW419.78 g/mol
LogP-3.55
Rot. Bonds5

About 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid

2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid (PubChem CID 159743667) has the molecular formula C10H22ClN7O9 and a molecular weight of 419.78 g/mol. Its IUPAC name is 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid.

Molecular Properties

Compound Name2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid
PubChem CID159743667
Molecular FormulaC10H22ClN7O9
Molecular Weight419.78 g/mol
Exact Mass419.12
IUPAC Name2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid
SMILESCCOC(=O)C(=O)Cl.NN=C(N)N.O=COO.[H]/N=C(\N)CNC(=O)C(=O)O.[H][H]
InChIInChI=1S/C4H5ClO3.C4H7N3O3.CH6N4.CH2O3.H2/c1-2-8-4(7)3(5)6;5-2(6)1-7-3(8)4(9)10;2-1(3)5-4;2-1-4-3;/h2H2,1H3;1H2,(H3,5,6)(H,7,8)(H,9,10);4H2,(H4,2,3,5);1,3H;1H
InChIKeyNCTXIXQSLDWUMF-UHFFFAOYSA-N
XLogP-3.55
TPSA296.59 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500419.78
LogP ≤ 5-3.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid with MolForge

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Related Compounds

(2-amino-2-iminoethyl)carbamic acid
CID 87487959
ethyl 2-chloro-2-oxoacetate;hydrate
CID 174430956
ethyl 2-amino-2-iminoacetate
CID 19017716
ethyl 2-methoxybut-2-enoate
CID 141457807
ethyl 2-imino-3-sulfanylpropanoate
CID 23182282
ethyl 2-oxo-2-(2-oxopropylamino)acetate
CID 57348900
2-O-(diaminomethylideneamino) 1-O-ethyl oxalate
CID 57134216
ethyl (3E)-3-hydroxyimino-2-iminopropanoate
CID 168935813
ethyl 2-carbonochloridimidoylsulfanyl-2-iminoacetate
CID 123831904
ethyl 3-chloro-2,3-dioxopropanoate
CID 15149748
(Z)-4-amino-6-ethoxy-2-imino-6-oxohex-3-enoic acid
CID 142996179
ethyl (Z)-4-amino-5,5,5-trifluoro-2-iminopent-3-enoate
CID 177007000

Frequently Asked Questions

What is the IUPAC name of 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid?
The IUPAC name of 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid (CID 159743667) is 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid.
What is the SMILES notation for 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid?
The canonical SMILES for 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid is CCOC(=O)C(=O)Cl.NN=C(N)N.O=COO.[H]/N=C(\N)CNC(=O)C(=O)O.[H][H].
What is the InChIKey of 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid?
The InChIKey is NCTXIXQSLDWUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClO3.C4H7N3O3.CH6N4.CH2O3.H2/c1-2-8-4(7)3(5)6;5-2(6)1-7-3(8)4(9)10;2-1(3)5-4;2-1-4-3;/h2H2,1H3;1H2,(H3,5,6)(H,7,8)(H,9,10);4H2,(H4,2,3,5);1,3H;1H.
What are the key properties of 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid?
2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid has a molecular weight of 419.78 g/mol, XLogP of -3.55, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoguanidine;2-[(2-amino-2-iminoethyl)amino]-2-oxoacetic acid;ethyl 2-chloro-2-oxoacetate;molecular hydrogen;peroxyformic acid is sourced from PubChem (CID 159743667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).