ethane-1,2-diamine;propanoic acid

C8H20N2O4 — CID 87109633

IUPACethane-1,2-diamine;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.NCCN
InChIInChI=1S/2C3H6O2.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H2,1H3,(H,4,5);1-4H2
InChIKeyZZGUZQXLSHSYMH-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.13
Rot. Bonds3

About ethane-1,2-diamine;propanoic acid

ethane-1,2-diamine;propanoic acid (PubChem CID 87109633) has the molecular formula C8H20N2O4 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethane-1,2-diamine;propanoic acid.

Molecular Properties

Compound Nameethane-1,2-diamine;propanoic acid
PubChem CID87109633
Molecular FormulaC8H20N2O4
Molecular Weight208.26 g/mol
Exact Mass208.14
IUPAC Nameethane-1,2-diamine;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.NCCN
InChIInChI=1S/2C3H6O2.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H2,1H3,(H,4,5);1-4H2
InChIKeyZZGUZQXLSHSYMH-UHFFFAOYSA-N
XLogP-0.13
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diamine;propanoic acid
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CID 87066971
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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 87109633) 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.CCC(=O)O.NCCN.
What is the InChIKey of ethane-1,2-diamine;propanoic acid?
The InChIKey is ZZGUZQXLSHSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.C2H8N2/c2*1-2-3(4)5;3-1-2-4/h2*2H2,1H3,(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 208.26 g/mol, XLogP of -0.13, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;propanoic acid is sourced from PubChem (CID 87109633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).