pentyl 2-oxo-2-(prop-2-enylamino)acetate

C10H17NO3 — CID 6420267

IUPACpentyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-8-14-10(13)9(12)11-7-4-2/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyFFTIZGGACSULNQ-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds6

About pentyl 2-oxo-2-(prop-2-enylamino)acetate

pentyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6420267) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is pentyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namepentyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6420267
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namepentyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-6-8-14-10(13)9(12)11-7-4-2/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyFFTIZGGACSULNQ-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of pentyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6420267) is pentyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for pentyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for pentyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCCCCC.
What is the InChIKey of pentyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is FFTIZGGACSULNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-6-8-14-10(13)9(12)11-7-4-2/h4H,2-3,5-8H2,1H3,(H,11,12).
What are the key properties of pentyl 2-oxo-2-(prop-2-enylamino)acetate?
pentyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6420267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).