methyl (Z)-2-aminohexadec-9-enoate

C17H33NO2 — CID 150010040

IUPACmethyl (Z)-2-aminohexadec-9-enoate
SMILESCCCCCC/C=C\CCCCCCC(N)C(=O)OC
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h8-9,16H,3-7,10-15,18H2,1-2H3/b9-8-
InChIKeyDDBUNUPGAKSFRM-HJWRWDBZSA-N
MW283.46 g/mol
LogP4.35
Rot. Bonds13

About methyl (Z)-2-aminohexadec-9-enoate

methyl (Z)-2-aminohexadec-9-enoate (PubChem CID 150010040) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is methyl (Z)-2-aminohexadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-aminohexadec-9-enoate
PubChem CID150010040
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Namemethyl (Z)-2-aminohexadec-9-enoate
SMILESCCCCCC/C=C\CCCCCCC(N)C(=O)OC
InChIInChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h8-9,16H,3-7,10-15,18H2,1-2H3/b9-8-
InChIKeyDDBUNUPGAKSFRM-HJWRWDBZSA-N
XLogP4.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl (Z)-2-aminooctadec-9-enoate
CID 160622893
methyl (E)-2-aminododec-6-enoate
CID 175078394
methyl 2-aminoheptadecanoate
CID 140839752
methyl (2S)-2-aminotridecanoate
CID 88583666
methyl 2-aminononadecanoate
CID 140839745
dimethyl (2S,5Z,13Z,17S)-2,17-diaminooctadeca-5,13-dienedioate
CID 11783565
(Z)-2-aminooctadec-9-enamide
CID 56663673
methyl (Z)-2-propyloctadec-9-enoate
CID 174670601
2-methoxycarbonylhexadec-9-enoic acid
CID 140652671
methyl (2S)-2-aminohexanoate
CID 7018840
methyl (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoate
CID 20839371
methyl (Z)-2-methoxytetradec-6-enoate
CID 11065524

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-aminohexadec-9-enoate?
The IUPAC name of methyl (Z)-2-aminohexadec-9-enoate (CID 150010040) is methyl (Z)-2-aminohexadec-9-enoate.
What is the SMILES notation for methyl (Z)-2-aminohexadec-9-enoate?
The canonical SMILES for methyl (Z)-2-aminohexadec-9-enoate is CCCCCC/C=C\CCCCCCC(N)C(=O)OC.
What is the InChIKey of methyl (Z)-2-aminohexadec-9-enoate?
The InChIKey is DDBUNUPGAKSFRM-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)17(19)20-2/h8-9,16H,3-7,10-15,18H2,1-2H3/b9-8-.
What are the key properties of methyl (Z)-2-aminohexadec-9-enoate?
methyl (Z)-2-aminohexadec-9-enoate has a molecular weight of 283.46 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-aminohexadec-9-enoate is sourced from PubChem (CID 150010040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).