2-(propylcarbamoylamino)ethyl propanoate

C9H18N2O3 — CID 54150970

IUPAC2-(propylcarbamoylamino)ethyl propanoate
SMILESCCCNC(=O)NCCOC(=O)CC
InChIInChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-7-14-8(12)4-2/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyOHSDMONZMQIGBA-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.65
Rot. Bonds6

About 2-(propylcarbamoylamino)ethyl propanoate

2-(propylcarbamoylamino)ethyl propanoate (PubChem CID 54150970) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(propylcarbamoylamino)ethyl propanoate.

Molecular Properties

Compound Name2-(propylcarbamoylamino)ethyl propanoate
PubChem CID54150970
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name2-(propylcarbamoylamino)ethyl propanoate
SMILESCCCNC(=O)NCCOC(=O)CC
InChIInChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-7-14-8(12)4-2/h3-7H2,1-2H3,(H2,10,11,13)
InChIKeyOHSDMONZMQIGBA-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(propylcarbamoylamino)ethyl propanoate?
The IUPAC name of 2-(propylcarbamoylamino)ethyl propanoate (CID 54150970) is 2-(propylcarbamoylamino)ethyl propanoate.
What is the SMILES notation for 2-(propylcarbamoylamino)ethyl propanoate?
The canonical SMILES for 2-(propylcarbamoylamino)ethyl propanoate is CCCNC(=O)NCCOC(=O)CC.
What is the InChIKey of 2-(propylcarbamoylamino)ethyl propanoate?
The InChIKey is OHSDMONZMQIGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-10-9(13)11-6-7-14-8(12)4-2/h3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 2-(propylcarbamoylamino)ethyl propanoate?
2-(propylcarbamoylamino)ethyl propanoate has a molecular weight of 202.25 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylcarbamoylamino)ethyl propanoate is sourced from PubChem (CID 54150970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).