nonyl 2-(prop-2-enoxycarbonylamino)propanoate

C16H29NO4 — CID 6422694

IUPACnonyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-4-6-7-8-9-10-11-13-20-15(18)14(3)17-16(19)21-12-5-2/h5,14H,2,4,6-13H2,1,3H3,(H,17,19)
InChIKeySJWWDMSJBZJYRK-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.58
Rot. Bonds12

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

nonyl 2-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 6422694) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is nonyl 2-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Namenonyl 2-(prop-2-enoxycarbonylamino)propanoate
PubChem CID6422694
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Namenonyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCCCCCCCCC
InChIInChI=1S/C16H29NO4/c1-4-6-7-8-9-10-11-13-20-15(18)14(3)17-16(19)21-12-5-2/h5,14H,2,4,6-13H2,1,3H3,(H,17,19)
InChIKeySJWWDMSJBZJYRK-UHFFFAOYSA-N
XLogP3.58
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
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-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
l-Alanine, N-ethoxycarbonyl-, octyl ester
CID 6422311
l-Alanine, N-ethoxycarbonyl-, nonyl ester
CID 6422312
l-Alanine, N-ethoxycarbonyl-, decyl ester
CID 6422314
l-Alanine, N-ethoxycarbonyl-, dodecyl ester
CID 6422315
l-Alanine, N-ethoxycarbonyl-, tridecyl ester
CID 6422316
l-Alanine, N-ethoxycarbonyl-, tetradecyl ester
CID 6422317
l-Alanine, N-ethoxycarbonyl-, pentadecyl ester
CID 6422318
l-Alanine, N-ethoxycarbonyl-, hexadecyl ester
CID 6422319
l-Alanine, N-ethoxycarbonyl-, heptadecyl ester
CID 6422320
l-Alanine, N-ethoxycarbonyl-, octadecyl ester
CID 6422321
l-Alanine, N-allyloxycarbonyl-, decyl ester
CID 6422695

Frequently Asked Questions

What is the IUPAC name of nonyl 2-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of nonyl 2-(prop-2-enoxycarbonylamino)propanoate (CID 6422694) is nonyl 2-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for nonyl 2-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for nonyl 2-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NC(C)C(=O)OCCCCCCCCC.
What is the InChIKey of nonyl 2-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is SJWWDMSJBZJYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-4-6-7-8-9-10-11-13-20-15(18)14(3)17-16(19)21-12-5-2/h5,14H,2,4,6-13H2,1,3H3,(H,17,19).
What are the key properties of nonyl 2-(prop-2-enoxycarbonylamino)propanoate?
nonyl 2-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 299.41 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 2-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 6422694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).