(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate

C9H13N5O6 — CID 163884154

IUPAC(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate
SMILESC=C(N)C(=O)ON/C=C(\N)C(=O)ONOC(=O)C(=C)N
InChIInChI=1S/C9H13N5O6/c1-4(10)7(15)18-13-3-6(12)9(17)20-14-19-8(16)5(2)11/h3,13-14H,1-2,10-12H2/b6-3-
InChIKeyPVWMEFGNWSFTEW-UTCJRWHESA-N
MW287.23 g/mol
LogP-2.71
Rot. Bonds7

About (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate

(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate (PubChem CID 163884154) has the molecular formula C9H13N5O6 and a molecular weight of 287.23 g/mol. Its IUPAC name is (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate.

Molecular Properties

Compound Name(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate
PubChem CID163884154
Molecular FormulaC9H13N5O6
Molecular Weight287.23 g/mol
Exact Mass287.09
IUPAC Name(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate
SMILESC=C(N)C(=O)ON/C=C(\N)C(=O)ONOC(=O)C(=C)N
InChIInChI=1S/C9H13N5O6/c1-4(10)7(15)18-13-3-6(12)9(17)20-14-19-8(16)5(2)11/h3,13-14H,1-2,10-12H2/b6-3-
InChIKeyPVWMEFGNWSFTEW-UTCJRWHESA-N
XLogP-2.71
TPSA181.02 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 5-2.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methylamino 2-aminoprop-2-enoate
CID 155065198
prop-2-enamide;ruthenium
CID 90254548
2-aminoprop-2-enamide
CID 3332061
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
CID 174983708
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
dimethyl (E)-3-amino-2,5-dimethylidenehex-3-enedioate
CID 145160134
(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-ylamino) 2-aminoprop-2-enoate
CID 163928861
methyl (E)-2-aminobut-2-enoate
CID 19894054
ethene-1,1-diol;prop-2-enamide
CID 174658864
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
4-hydroxybutyl 2-aminoprop-2-enoate
CID 141230887
N-methylmethanamine;2-methylprop-2-enamide
CID 87110078

Frequently Asked Questions

What is the IUPAC name of (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate?
The IUPAC name of (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate (CID 163884154) is (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate.
What is the SMILES notation for (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate?
The canonical SMILES for (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate is C=C(N)C(=O)ON/C=C(\N)C(=O)ONOC(=O)C(=C)N.
What is the InChIKey of (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate?
The InChIKey is PVWMEFGNWSFTEW-UTCJRWHESA-N. The full InChI is InChI=1S/C9H13N5O6/c1-4(10)7(15)18-13-3-6(12)9(17)20-14-19-8(16)5(2)11/h3,13-14H,1-2,10-12H2/b6-3-.
What are the key properties of (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate?
(2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate has a molecular weight of 287.23 g/mol, XLogP of -2.71, 7 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoprop-2-enoyloxyamino) (Z)-2-amino-3-(2-aminoprop-2-enoyloxyamino)prop-2-enoate is sourced from PubChem (CID 163884154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).