nonyl 3-(prop-2-enoxycarbonylamino)propanoate

C16H29NO4 — CID 91691235

IUPACnonyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NCCC(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,19)
InChIKeyRJBPUMPULHGYBT-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.58
Rot. Bonds13

About nonyl 3-(prop-2-enoxycarbonylamino)propanoate

nonyl 3-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 91691235) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is nonyl 3-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Namenonyl 3-(prop-2-enoxycarbonylamino)propanoate
PubChem CID91691235
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namenonyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NCCC(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,19)
InChIKeyRJBPUMPULHGYBT-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

l-Alanine, N-allyloxycarbonyl-, nonyl ester
CID 6422694
l-Alanine, N-allyloxycarbonyl-, decyl ester
CID 6422695
beta-Alanine, N-allyloxycarbonyl-, hexyl ester
CID 91691234
beta-Alanine, N-allyloxycarbonyl-, heptyl ester
CID 91691251
beta-Alanine, N-allyloxycarbonyl-, undecyl ester
CID 91691269
beta-Alanine, N-allyloxycarbonyl-, octyl ester
CID 91691270
beta-Alanine, N-allyloxycarbonyl-, decyl ester
CID 91691271
beta-Alanine, N-allyloxycarbonyl-, pentadecyl ester
CID 91691274
beta-Alanine, N-allyloxycarbonyl-, dodecyl ester
CID 91691300
beta-Alanine, N-allyloxycarbonyl-, tetradecyl ester
CID 91691302
beta-Alanine, N-allyloxycarbonyl-, hexadecyl ester
CID 91709755
beta-Alanine, N-allyloxycarbonyl-, octadecyl ester
CID 91709758

Frequently Asked Questions

What is the IUPAC name of nonyl 3-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of nonyl 3-(prop-2-enoxycarbonylamino)propanoate (CID 91691235) is nonyl 3-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for nonyl 3-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for nonyl 3-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NCCC(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 3-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is RJBPUMPULHGYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-3-5-6-7-8-9-10-14-20-15(18)11-12-17-16(19)21-13-4-2/h4H,2-3,5-14H2,1H3,(H,17,19).
What are the key properties of nonyl 3-(prop-2-enoxycarbonylamino)propanoate?
nonyl 3-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 299.41 g/mol, XLogP of 3.58, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 3-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 91691235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).