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

C19H37NO2 — CID 160622893

IUPACmethyl (Z)-2-aminooctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)OC
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h10-11,18H,3-9,12-17,20H2,1-2H3/b11-10-
InChIKeyRGXVJXBHFLWMNY-KHPPLWFESA-N
MW311.51 g/mol
LogP5.13
Rot. Bonds15

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

methyl (Z)-2-aminooctadec-9-enoate (PubChem CID 160622893) has the molecular formula C19H37NO2 and a molecular weight of 311.51 g/mol. Its IUPAC name is methyl (Z)-2-aminooctadec-9-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-aminooctadec-9-enoate
PubChem CID160622893
Molecular FormulaC19H37NO2
Molecular Weight311.51 g/mol
Exact Mass311.28
IUPAC Namemethyl (Z)-2-aminooctadec-9-enoate
SMILESCCCCCCCC/C=C\CCCCCCC(N)C(=O)OC
InChIInChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h10-11,18H,3-9,12-17,20H2,1-2H3/b11-10-
InChIKeyRGXVJXBHFLWMNY-KHPPLWFESA-N
XLogP5.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.13
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-aminohexadec-9-enoate
CID 150010040
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-aminooctadec-9-enoate?
The IUPAC name of methyl (Z)-2-aminooctadec-9-enoate (CID 160622893) is methyl (Z)-2-aminooctadec-9-enoate.
What is the SMILES notation for methyl (Z)-2-aminooctadec-9-enoate?
The canonical SMILES for methyl (Z)-2-aminooctadec-9-enoate is CCCCCCCC/C=C\CCCCCCC(N)C(=O)OC.
What is the InChIKey of methyl (Z)-2-aminooctadec-9-enoate?
The InChIKey is RGXVJXBHFLWMNY-KHPPLWFESA-N. The full InChI is InChI=1S/C19H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h10-11,18H,3-9,12-17,20H2,1-2H3/b11-10-.
What are the key properties of methyl (Z)-2-aminooctadec-9-enoate?
methyl (Z)-2-aminooctadec-9-enoate has a molecular weight of 311.51 g/mol, XLogP of 5.13, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-aminooctadec-9-enoate is sourced from PubChem (CID 160622893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).