propanoic acid;urea

C7H16N2O5 — CID 22102181

IUPACpropanoic acid;urea
SMILESCCC(=O)O.CCC(=O)O.NC(N)=O
InChIInChI=1S/2C3H6O2.CH4N2O/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);(H4,2,3,4)
InChIKeyLLSSRXRXGPACOS-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.01
Rot. Bonds2

About propanoic acid;urea

propanoic acid;urea (PubChem CID 22102181) has the molecular formula C7H16N2O5 and a molecular weight of 208.21 g/mol. Its IUPAC name is propanoic acid;urea.

Molecular Properties

Compound Namepropanoic acid;urea
PubChem CID22102181
Molecular FormulaC7H16N2O5
Molecular Weight208.21 g/mol
Exact Mass208.11
IUPAC Namepropanoic acid;urea
SMILESCCC(=O)O.CCC(=O)O.NC(N)=O
InChIInChI=1S/2C3H6O2.CH4N2O/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);(H4,2,3,4)
InChIKeyLLSSRXRXGPACOS-UHFFFAOYSA-N
XLogP-0.01
TPSA143.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;urea?
The IUPAC name of propanoic acid;urea (CID 22102181) is propanoic acid;urea.
What is the SMILES notation for propanoic acid;urea?
The canonical SMILES for propanoic acid;urea is CCC(=O)O.CCC(=O)O.NC(N)=O.
What is the InChIKey of propanoic acid;urea?
The InChIKey is LLSSRXRXGPACOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.CH4N2O/c2*1-2-3(4)5;2-1(3)4/h2*2H2,1H3,(H,4,5);(H4,2,3,4).
What are the key properties of propanoic acid;urea?
propanoic acid;urea has a molecular weight of 208.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;urea is sourced from PubChem (CID 22102181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).