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

C14H25NO3 — CID 6420269

IUPACnonyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-12-18-14(17)13(16)15-11-4-2/h4H,2-3,5-12H2,1H3,(H,15,16)
InChIKeyPGFGNTBNNOMFME-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.58
Rot. Bonds10

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

nonyl 2-oxo-2-(prop-2-enylamino)acetate (PubChem CID 6420269) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is nonyl 2-oxo-2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namenonyl 2-oxo-2-(prop-2-enylamino)acetate
PubChem CID6420269
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namenonyl 2-oxo-2-(prop-2-enylamino)acetate
SMILESC=CCNC(=O)C(=O)OCCCCCCCCC
InChIInChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-12-18-14(17)13(16)15-11-4-2/h4H,2-3,5-12H2,1H3,(H,15,16)
InChIKeyPGFGNTBNNOMFME-UHFFFAOYSA-N
XLogP2.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.58
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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Related Compounds

[2-Oxo-2-(prop-2-enylamino)ethyl] dodecanoate
CID 178298075
[2-Oxo-2-(prop-2-enylamino)ethyl] octanoate
CID 178306607
Oxalic acid, monoamide, N-allyl-, pentyl ester
CID 6420267
Oxalic acid, monoamide, N-allyl-, isohexyl ester
CID 6420239
Oxalic acid, monoamide, N-allyl-, propyl ester
CID 6420266
Oxalic acid, monoamide, N-allyl-, hexyl ester
CID 6420268
Oxalic acid, monoamide, N-allyl-, octyl ester
CID 6420271
Oxalic acid, monoamide, n-propyl, undecyl ester
CID 6420321
Oxalic acid, monoamide, n-propyl, tridecyl ester
CID 6420322
Oxalic acid, monoamide, n-propyl, dodecyl ester
CID 6420329
Oxalic acid, monoamide, n-propyl, pentadecyl ester
CID 6420342
Oxalic acid, monoamide, n-propyl, heptyl ester
CID 6420424

Frequently Asked Questions

What is the IUPAC name of nonyl 2-oxo-2-(prop-2-enylamino)acetate?
The IUPAC name of nonyl 2-oxo-2-(prop-2-enylamino)acetate (CID 6420269) is nonyl 2-oxo-2-(prop-2-enylamino)acetate.
What is the SMILES notation for nonyl 2-oxo-2-(prop-2-enylamino)acetate?
The canonical SMILES for nonyl 2-oxo-2-(prop-2-enylamino)acetate is C=CCNC(=O)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-oxo-2-(prop-2-enylamino)acetate?
The InChIKey is PGFGNTBNNOMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-7-8-9-10-12-18-14(17)13(16)15-11-4-2/h4H,2-3,5-12H2,1H3,(H,15,16).
What are the key properties of nonyl 2-oxo-2-(prop-2-enylamino)acetate?
nonyl 2-oxo-2-(prop-2-enylamino)acetate has a molecular weight of 255.36 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-oxo-2-(prop-2-enylamino)acetate is sourced from PubChem (CID 6420269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).