2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene

C12H26N4O4 — CID 173132069

IUPAC2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene
SMILESC=C.C=C.C=C.NC(N)C(=O)OCCOC(=O)C(N)N
InChIInChI=1S/C6H14N4O4.3C2H4/c7-3(8)5(11)13-1-2-14-6(12)4(9)10;3*1-2/h3-4H,1-2,7-10H2;3*1-2H2
InChIKeyRTQZLSSRMMREAQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP-1.03
Rot. Bonds5

About 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene

2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene (PubChem CID 173132069) has the molecular formula C12H26N4O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene.

Molecular Properties

Compound Name2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene
PubChem CID173132069
Molecular FormulaC12H26N4O4
Molecular Weight290.36 g/mol
Exact Mass290.20
IUPAC Name2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene
SMILESC=C.C=C.C=C.NC(N)C(=O)OCCOC(=O)C(N)N
InChIInChI=1S/C6H14N4O4.3C2H4/c7-3(8)5(11)13-1-2-14-6(12)4(9)10;3*1-2/h3-4H,1-2,7-10H2;3*1-2H2
InChIKeyRTQZLSSRMMREAQ-UHFFFAOYSA-N
XLogP-1.03
TPSA156.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[bis(prop-2-enyl)amino]ethyl 2,2-diaminoacetate
CID 88985186
2-[2-[2-[(2R)-2-amino-3-sulfanylpropanoyl]oxyethoxy]ethoxy]ethyl (2R)-2-amino-3-sulfanylpropanoate
CID 102382707
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
ethene;2-prop-2-enoxycarbonyloxyethyl prop-2-enyl carbonate
CID 22459483
2-(2-ethoxyethoxy)ethyl (2S)-2-aminopropanoate
CID 167342621
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-methoxyethyl 2-amino-4-oxopentanoate
CID 58554581
2-(2-bromopropanoyloxy)ethyl 2-bromopropanoate;2,6-dibromoheptanedioic acid;ethene
CID 88920801
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-(2-iodopropanoyloxy)ethyl 2-methylpropanoate
CID 166970068

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene?
The IUPAC name of 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene (CID 173132069) is 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene.
What is the SMILES notation for 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene?
The canonical SMILES for 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene is C=C.C=C.C=C.NC(N)C(=O)OCCOC(=O)C(N)N.
What is the InChIKey of 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene?
The InChIKey is RTQZLSSRMMREAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O4.3C2H4/c7-3(8)5(11)13-1-2-14-6(12)4(9)10;3*1-2/h3-4H,1-2,7-10H2;3*1-2H2.
What are the key properties of 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene?
2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene has a molecular weight of 290.36 g/mol, XLogP of -1.03, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diaminoacetyl)oxyethyl 2,2-diaminoacetate;ethene is sourced from PubChem (CID 173132069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).