acetic acid;bis(ethane-1,2-diamine);propanoic acid

C14H36N4O8 — CID 173315141

IUPACacetic acid;bis(ethane-1,2-diamine);propanoic acid
SMILESCC(=O)O.CC(=O)O.CCC(=O)O.CCC(=O)O.NCCN.NCCN
InChIInChI=1S/2C3H6O2.2C2H8N2.2C2H4O2/c2*1-2-3(4)5;2*3-1-2-4;2*1-2(3)4/h2*2H2,1H3,(H,4,5);2*1-4H2;2*1H3,(H,3,4)
InChIKeyDZJWIZIJIKRZDM-UHFFFAOYSA-N
MW388.46 g/mol
LogP-1.05
Rot. Bonds4

About acetic acid;bis(ethane-1,2-diamine);propanoic acid

acetic acid;bis(ethane-1,2-diamine);propanoic acid (PubChem CID 173315141) has the molecular formula C14H36N4O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is acetic acid;bis(ethane-1,2-diamine);propanoic acid.

Molecular Properties

Compound Nameacetic acid;bis(ethane-1,2-diamine);propanoic acid
PubChem CID173315141
Molecular FormulaC14H36N4O8
Molecular Weight388.46 g/mol
Exact Mass388.25
IUPAC Nameacetic acid;bis(ethane-1,2-diamine);propanoic acid
SMILESCC(=O)O.CC(=O)O.CCC(=O)O.CCC(=O)O.NCCN.NCCN
InChIInChI=1S/2C3H6O2.2C2H8N2.2C2H4O2/c2*1-2-3(4)5;2*3-1-2-4;2*1-2(3)4/h2*2H2,1H3,(H,4,5);2*1-4H2;2*1H3,(H,3,4)
InChIKeyDZJWIZIJIKRZDM-UHFFFAOYSA-N
XLogP-1.05
TPSA253.28 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.46
LogP ≤ 5-1.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

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acetic acid;cobalt;propanoic acid
CID 173406712
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CID 173443491
CID 160895097
CID 160895097
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CID 157437445
acetic acid;azane;ethane-1,2-diamine;dihydrochloride
CID 175302181
tetrasodium;acetic acid;ethane-1,2-diamine;hydride
CID 173109232
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CID 161328323
CID 161328323

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(ethane-1,2-diamine);propanoic acid?
The IUPAC name of acetic acid;bis(ethane-1,2-diamine);propanoic acid (CID 173315141) is acetic acid;bis(ethane-1,2-diamine);propanoic acid.
What is the SMILES notation for acetic acid;bis(ethane-1,2-diamine);propanoic acid?
The canonical SMILES for acetic acid;bis(ethane-1,2-diamine);propanoic acid is CC(=O)O.CC(=O)O.CCC(=O)O.CCC(=O)O.NCCN.NCCN.
What is the InChIKey of acetic acid;bis(ethane-1,2-diamine);propanoic acid?
The InChIKey is DZJWIZIJIKRZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.2C2H8N2.2C2H4O2/c2*1-2-3(4)5;2*3-1-2-4;2*1-2(3)4/h2*2H2,1H3,(H,4,5);2*1-4H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;bis(ethane-1,2-diamine);propanoic acid?
acetic acid;bis(ethane-1,2-diamine);propanoic acid has a molecular weight of 388.46 g/mol, XLogP of -1.05, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(ethane-1,2-diamine);propanoic acid is sourced from PubChem (CID 173315141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).