nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate

C16H29NO4 — CID 91713200

IUPACnonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate
SMILESC=COC(=O)N(C)C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-5-7-8-9-10-11-12-13-21-15(18)14(3)17(4)16(19)20-6-2/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyNUMNLGDQAMCTMA-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.88
Rot. Bonds11

About nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate

nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate (PubChem CID 91713200) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate.

Molecular Properties

Compound Namenonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate
PubChem CID91713200
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namenonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate
SMILESC=COC(=O)N(C)C(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-5-7-8-9-10-11-12-13-21-15(18)14(3)17(4)16(19)20-6-2/h6,14H,2,5,7-13H2,1,3-4H3
InChIKeyNUMNLGDQAMCTMA-UHFFFAOYSA-N
XLogP3.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Alanine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91709718
Glycine, N-methyl-N-methoxycarbonyl-, undecyl ester
CID 91703018
Glycine, N-methyl-N-methoxycarbonyl-, pentadecyl ester
CID 91703019
Glycine, N-methyl-N-methoxycarbonyl-, tetradecyl ester
CID 91703020
Glycine, N-methyl-N-methoxycarbonyl-, hexadecyl ester
CID 91703021
Glycine, N-methyl-N-methoxycarbonyl-, heptadecyl ester
CID 91703022
Glycine, N-methyl-N-methoxycarbonyl-, octadecyl ester
CID 91703023
Glycine, N-methyl-N-methoxycarbonyl-, octyl ester
CID 91703032
Glycine, N-methyl-N-methoxycarbonyl-, nonyl ester
CID 91703033
Glycine, N-methyl-N-methoxycarbonyl-, decyl ester
CID 91703034
DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, butyl ester
CID 91703065
DL-Alanine, N-methyl-N-(vinyloxycarbonyl)-, hexyl ester
CID 91703066

Frequently Asked Questions

What is the IUPAC name of nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate?
The IUPAC name of nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate (CID 91713200) is nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate.
What is the SMILES notation for nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate?
The canonical SMILES for nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate is C=COC(=O)N(C)C(C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate?
The InChIKey is NUMNLGDQAMCTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-5-7-8-9-10-11-12-13-21-15(18)14(3)17(4)16(19)20-6-2/h6,14H,2,5,7-13H2,1,3-4H3.
What are the key properties of nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate?
nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate has a molecular weight of 299.41 g/mol, XLogP of 3.88, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-[ethenoxycarbonyl(methyl)amino]propanoate is sourced from PubChem (CID 91713200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).