ethane-1,2-diamine;propanoic acid

C5H14N2O2 — CID 87882267

IUPACethane-1,2-diamine;propanoic acid
SMILESCCC(=O)O.NCCN
InChIInChI=1S/C3H6O2.C2H8N2/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);1-4H2
InChIKeyCXFNDRDTGTUMKK-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.62
Rot. Bonds2

About ethane-1,2-diamine;propanoic acid

ethane-1,2-diamine;propanoic acid (PubChem CID 87882267) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is ethane-1,2-diamine;propanoic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;propanoic acid
PubChem CID87882267
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Nameethane-1,2-diamine;propanoic acid
SMILESCCC(=O)O.NCCN
InChIInChI=1S/C3H6O2.C2H8N2/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);1-4H2
InChIKeyCXFNDRDTGTUMKK-UHFFFAOYSA-N
XLogP-0.62
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethane-1,2-diamine;propanoic acid
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CID 57432895
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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;propanoic acid?
The IUPAC name of ethane-1,2-diamine;propanoic acid (CID 87882267) is ethane-1,2-diamine;propanoic acid.
What is the SMILES notation for ethane-1,2-diamine;propanoic acid?
The canonical SMILES for ethane-1,2-diamine;propanoic acid is CCC(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;propanoic acid?
The InChIKey is CXFNDRDTGTUMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H8N2/c1-2-3(4)5;3-1-2-4/h2H2,1H3,(H,4,5);1-4H2.
What are the key properties of ethane-1,2-diamine;propanoic acid?
ethane-1,2-diamine;propanoic acid has a molecular weight of 134.18 g/mol, XLogP of -0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;propanoic acid is sourced from PubChem (CID 87882267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).