3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine

C13H44N10O5 — CID 174622703

IUPAC3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine
SMILESCN.CN.CN.CN.CN.CN.NNCCC(=O)OC(=O)OC(=O)CCNN
InChIInChI=1S/C7H14N4O5.6CH5N/c8-10-3-1-5(12)15-7(14)16-6(13)2-4-11-9;6*1-2/h10-11H,1-4,8-9H2;6*2H2,1H3
InChIKeyKUWFPVFDMNVERJ-UHFFFAOYSA-N
MW420.56 g/mol
LogP-4.65
Rot. Bonds6

About 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine

3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine (PubChem CID 174622703) has the molecular formula C13H44N10O5 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine.

Molecular Properties

Compound Name3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine
PubChem CID174622703
Molecular FormulaC13H44N10O5
Molecular Weight420.56 g/mol
Exact Mass420.35
IUPAC Name3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine
SMILESCN.CN.CN.CN.CN.CN.NNCCC(=O)OC(=O)OC(=O)CCNN
InChIInChI=1S/C7H14N4O5.6CH5N/c8-10-3-1-5(12)15-7(14)16-6(13)2-4-11-9;6*1-2/h10-11H,1-4,8-9H2;6*2H2,1H3
InChIKeyKUWFPVFDMNVERJ-UHFFFAOYSA-N
XLogP-4.65
TPSA301.89 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500420.56
LogP ≤ 5-4.65
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamidopropanoyl 3-aminopropanoate
CID 90764985
ethyl 4-hydrazinylbutanoate;hydrochloride
CID 88780501
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
ethyl 3-(methylamino)propanoate;methane
CID 159702101
bis(ethoxycarbonyl) octanedioate
CID 175404466
5-(4-carboxy-4-oxobutanoyl)oxycarbonyloxy-2,5-dioxopentanoic acid
CID 175142341
4-O-carbamoyl 1-O-methyl butanedioate
CID 175302695
bis(2-methylpropoxycarbonyl) hexanedioate
CID 87754292
propyl 3-[3-[(3-oxo-3-propoxypropyl)amino]propylamino]propanoate
CID 58040601
2-methoxyethyl 3-(methoxycarbonylamino)propanoate
CID 71878122
ethane;methyl 2-hydrazinylacetate
CID 170593077
dipropanoyl butanedioate
CID 146216618

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine?
The IUPAC name of 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine (CID 174622703) is 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine.
What is the SMILES notation for 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine?
The canonical SMILES for 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine is CN.CN.CN.CN.CN.CN.NNCCC(=O)OC(=O)OC(=O)CCNN.
What is the InChIKey of 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine?
The InChIKey is KUWFPVFDMNVERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O5.6CH5N/c8-10-3-1-5(12)15-7(14)16-6(13)2-4-11-9;6*1-2/h10-11H,1-4,8-9H2;6*2H2,1H3.
What are the key properties of 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine?
3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine has a molecular weight of 420.56 g/mol, XLogP of -4.65, 6 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinylpropanoyloxycarbonyl 3-hydrazinylpropanoate;methanamine is sourced from PubChem (CID 174622703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).