prop-2-enyl 2-(2-aminopropanoylamino)propanoate

C9H16N2O3 — CID 14259766

IUPACprop-2-enyl 2-(2-aminopropanoylamino)propanoate
SMILESC=CCOC(=O)C(C)NC(=O)C(C)N
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12)
InChIKeyOUQODMZCPBGZDY-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.43
Rot. Bonds5

About prop-2-enyl 2-(2-aminopropanoylamino)propanoate

prop-2-enyl 2-(2-aminopropanoylamino)propanoate (PubChem CID 14259766) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is prop-2-enyl 2-(2-aminopropanoylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-aminopropanoylamino)propanoate
PubChem CID14259766
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameprop-2-enyl 2-(2-aminopropanoylamino)propanoate
SMILESC=CCOC(=O)C(C)NC(=O)C(C)N
InChIInChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12)
InChIKeyOUQODMZCPBGZDY-UHFFFAOYSA-N
XLogP-0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-aminopropanoylamino)propanoate?
The IUPAC name of prop-2-enyl 2-(2-aminopropanoylamino)propanoate (CID 14259766) is prop-2-enyl 2-(2-aminopropanoylamino)propanoate.
What is the SMILES notation for prop-2-enyl 2-(2-aminopropanoylamino)propanoate?
The canonical SMILES for prop-2-enyl 2-(2-aminopropanoylamino)propanoate is C=CCOC(=O)C(C)NC(=O)C(C)N.
What is the InChIKey of prop-2-enyl 2-(2-aminopropanoylamino)propanoate?
The InChIKey is OUQODMZCPBGZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-5-14-9(13)7(3)11-8(12)6(2)10/h4,6-7H,1,5,10H2,2-3H3,(H,11,12).
What are the key properties of prop-2-enyl 2-(2-aminopropanoylamino)propanoate?
prop-2-enyl 2-(2-aminopropanoylamino)propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(2-aminopropanoylamino)propanoate is sourced from PubChem (CID 14259766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).