ethyl carbamate;propanoic acid

C9H19NO6 — CID 158069728

IUPACethyl carbamate;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.2C3H6O2/c1-2-6-3(4)5;2*1-2-3(4)5/h2H2,1H3,(H2,4,5);2*2H2,1H3,(H,4,5)
InChIKeyFLRHVDCCVYBMKP-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.06
Rot. Bonds3

About ethyl carbamate;propanoic acid

ethyl carbamate;propanoic acid (PubChem CID 158069728) has the molecular formula C9H19NO6 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl carbamate;propanoic acid.

Molecular Properties

Compound Nameethyl carbamate;propanoic acid
PubChem CID158069728
Molecular FormulaC9H19NO6
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Nameethyl carbamate;propanoic acid
SMILESCCC(=O)O.CCC(=O)O.CCOC(N)=O
InChIInChI=1S/C3H7NO2.2C3H6O2/c1-2-6-3(4)5;2*1-2-3(4)5/h2H2,1H3,(H2,4,5);2*2H2,1H3,(H,4,5)
InChIKeyFLRHVDCCVYBMKP-UHFFFAOYSA-N
XLogP1.06
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;propanoic acid?
The IUPAC name of ethyl carbamate;propanoic acid (CID 158069728) is ethyl carbamate;propanoic acid.
What is the SMILES notation for ethyl carbamate;propanoic acid?
The canonical SMILES for ethyl carbamate;propanoic acid is CCC(=O)O.CCC(=O)O.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;propanoic acid?
The InChIKey is FLRHVDCCVYBMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.2C3H6O2/c1-2-6-3(4)5;2*1-2-3(4)5/h2H2,1H3,(H2,4,5);2*2H2,1H3,(H,4,5).
What are the key properties of ethyl carbamate;propanoic acid?
ethyl carbamate;propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;propanoic acid is sourced from PubChem (CID 158069728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).