undec-10-enyl 2-(butoxycarbonylamino)propanoate

C19H35NO4 — CID 6423167

IUPACundec-10-enyl 2-(butoxycarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)OCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-7-5-2/h4,17H,1,5-16H2,2-3H3,(H,20,22)
InChIKeyQEWDJKMCXXWXSN-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.75
Rot. Bonds15

About undec-10-enyl 2-(butoxycarbonylamino)propanoate

undec-10-enyl 2-(butoxycarbonylamino)propanoate (PubChem CID 6423167) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is undec-10-enyl 2-(butoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameundec-10-enyl 2-(butoxycarbonylamino)propanoate
PubChem CID6423167
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Nameundec-10-enyl 2-(butoxycarbonylamino)propanoate
SMILESC=CCCCCCCCCCOC(=O)C(C)NC(=O)OCCCC
InChIInChI=1S/C19H35NO4/c1-4-6-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-7-5-2/h4,17H,1,5-16H2,2-3H3,(H,20,22)
InChIKeyQEWDJKMCXXWXSN-UHFFFAOYSA-N
XLogP4.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.75
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

undec-10-enyl 2-(2-methylpropoxycarbonylamino)propanoate
CID 6423188
undec-10-enyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837026
heptadecyl (2S)-2-(butoxycarbonylamino)propanoate
CID 20837023
tetradecyl 2-(propoxycarbonylamino)propanoate
CID 6422780
undec-10-enyl (2S)-3-methyl-2-(propoxycarbonylamino)pentanoate
CID 20837345
octadecyl (2S)-2-(2-methylpropoxycarbonylamino)propanoate
CID 20837039
dodecyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720984
octyl 2-(2-chloroethoxycarbonylamino)propanoate
CID 91720964
dodecyl (2S)-2-(methoxycarbonylamino)propanoate
CID 20836777
(2S)-2-(hexoxycarbonylamino)propanoic acid
CID 139881168
pentadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725441
heptadecyl 2-(butoxycarbonylamino)pent-4-enoate
CID 91725443

Frequently Asked Questions

What is the IUPAC name of undec-10-enyl 2-(butoxycarbonylamino)propanoate?
The IUPAC name of undec-10-enyl 2-(butoxycarbonylamino)propanoate (CID 6423167) is undec-10-enyl 2-(butoxycarbonylamino)propanoate.
What is the SMILES notation for undec-10-enyl 2-(butoxycarbonylamino)propanoate?
The canonical SMILES for undec-10-enyl 2-(butoxycarbonylamino)propanoate is C=CCCCCCCCCCOC(=O)C(C)NC(=O)OCCCC.
What is the InChIKey of undec-10-enyl 2-(butoxycarbonylamino)propanoate?
The InChIKey is QEWDJKMCXXWXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-4-6-8-9-10-11-12-13-14-16-23-18(21)17(3)20-19(22)24-15-7-5-2/h4,17H,1,5-16H2,2-3H3,(H,20,22).
What are the key properties of undec-10-enyl 2-(butoxycarbonylamino)propanoate?
undec-10-enyl 2-(butoxycarbonylamino)propanoate has a molecular weight of 341.49 g/mol, XLogP of 4.75, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for undec-10-enyl 2-(butoxycarbonylamino)propanoate is sourced from PubChem (CID 6423167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).