decyl (Z)-3-aminobut-2-enoate

C14H27NO2 — CID 86741101

IUPACdecyl (Z)-3-aminobut-2-enoate
SMILESCCCCCCCCCCOC(=O)/C=C(/C)N
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)12-13(2)15/h12H,3-11,15H2,1-2H3/b13-12-
InChIKeyIJBRUUXJLQCDOJ-SEYXRHQNSA-N
MW241.37 g/mol
LogP3.53
Rot. Bonds10

About decyl (Z)-3-aminobut-2-enoate

decyl (Z)-3-aminobut-2-enoate (PubChem CID 86741101) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is decyl (Z)-3-aminobut-2-enoate.

Molecular Properties

Compound Namedecyl (Z)-3-aminobut-2-enoate
PubChem CID86741101
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namedecyl (Z)-3-aminobut-2-enoate
SMILESCCCCCCCCCCOC(=O)/C=C(/C)N
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)12-13(2)15/h12H,3-11,15H2,1-2H3/b13-12-
InChIKeyIJBRUUXJLQCDOJ-SEYXRHQNSA-N
XLogP3.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

nonacosyl (Z)-3-aminobut-2-enoate
CID 101276443
2-heptoxyethyl 3-aminobut-2-enoate
CID 71409461
3-(3-aminobut-2-enoyloxy)propyl 3-aminobut-2-enoate
CID 141001052
dodecyl (Z)-3-hydroxybut-2-enoate
CID 102460979
octyl 3,3-dichloroprop-2-enoate
CID 15001319
octyl 3,3-dibromoprop-2-enoate
CID 15001320
dihexyl (2Z,4E)-3-methylhexa-2,4-dienedioate
CID 132558712
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dioctyl but-2-enedioate
CID 18011
dihexyl (Z)-but-2-enedioate
CID 5271573
didodecyl (Z)-but-2-enedioate
CID 5354846
diundecyl (Z)-but-2-enedioate
CID 5354455

Frequently Asked Questions

What is the IUPAC name of decyl (Z)-3-aminobut-2-enoate?
The IUPAC name of decyl (Z)-3-aminobut-2-enoate (CID 86741101) is decyl (Z)-3-aminobut-2-enoate.
What is the SMILES notation for decyl (Z)-3-aminobut-2-enoate?
The canonical SMILES for decyl (Z)-3-aminobut-2-enoate is CCCCCCCCCCOC(=O)/C=C(/C)N.
What is the InChIKey of decyl (Z)-3-aminobut-2-enoate?
The InChIKey is IJBRUUXJLQCDOJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)12-13(2)15/h12H,3-11,15H2,1-2H3/b13-12-.
What are the key properties of decyl (Z)-3-aminobut-2-enoate?
decyl (Z)-3-aminobut-2-enoate has a molecular weight of 241.37 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decyl (Z)-3-aminobut-2-enoate is sourced from PubChem (CID 86741101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).