methyl (E)-2-acetamido-5-hydroxydodec-3-enoate

C15H27NO4 — CID 58572061

IUPACmethyl (E)-2-acetamido-5-hydroxydodec-3-enoate
SMILESCCCCCCCC(O)/C=C/C(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H27NO4/c1-4-5-6-7-8-9-13(18)10-11-14(15(19)20-3)16-12(2)17/h10-11,13-14,18H,4-9H2,1-3H3,(H,16,17)/b11-10+
InChIKeyUGQCHSXABJSUSB-ZHACJKMWSA-N
MW285.38 g/mol
LogP1.94
Rot. Bonds10

About methyl (E)-2-acetamido-5-hydroxydodec-3-enoate

methyl (E)-2-acetamido-5-hydroxydodec-3-enoate (PubChem CID 58572061) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (E)-2-acetamido-5-hydroxydodec-3-enoate.

Molecular Properties

Compound Namemethyl (E)-2-acetamido-5-hydroxydodec-3-enoate
PubChem CID58572061
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (E)-2-acetamido-5-hydroxydodec-3-enoate
SMILESCCCCCCCC(O)/C=C/C(NC(C)=O)C(=O)OC
InChIInChI=1S/C15H27NO4/c1-4-5-6-7-8-9-13(18)10-11-14(15(19)20-3)16-12(2)17/h10-11,13-14,18H,4-9H2,1-3H3,(H,16,17)/b11-10+
InChIKeyUGQCHSXABJSUSB-ZHACJKMWSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
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

methyl (E,12R,15S)-12,15-dihydroxydocos-13-enoate
CID 10022931
methyl 2-acetamidooctanoate
CID 6429509
(E,10R,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10020286
(Z)-7,10-dihydroxyoctadec-8-enoic acid
CID 56776194
(E,8R,11S)-8,11-dihydroxyoctadec-9-enoic acid
CID 10448375
(E,10S,13S)-10,13-dihydroxyicos-11-enoic acid
CID 10315363
(E,2R)-2-acetamido-4,7-dihydroxy-3-sulfanyldodec-5-enoic acid
CID 101386770
methyl (E,4S)-4-hydroxynon-2-enoate
CID 169408597
(E,4S)-1,1-dimethoxyundec-2-en-4-ol
CID 10585572
methyl (E,9R,12R,13R)-9,12,13-trihydroxyoctadec-10-enoate
CID 14191893
methyl (E)-9,10,13-trihydroxyoctadec-11-enoate
CID 10315496
(E)-1-(methoxymethoxy)oct-1-en-3-ol
CID 11745383

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-acetamido-5-hydroxydodec-3-enoate?
The IUPAC name of methyl (E)-2-acetamido-5-hydroxydodec-3-enoate (CID 58572061) is methyl (E)-2-acetamido-5-hydroxydodec-3-enoate.
What is the SMILES notation for methyl (E)-2-acetamido-5-hydroxydodec-3-enoate?
The canonical SMILES for methyl (E)-2-acetamido-5-hydroxydodec-3-enoate is CCCCCCCC(O)/C=C/C(NC(C)=O)C(=O)OC.
What is the InChIKey of methyl (E)-2-acetamido-5-hydroxydodec-3-enoate?
The InChIKey is UGQCHSXABJSUSB-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-5-6-7-8-9-13(18)10-11-14(15(19)20-3)16-12(2)17/h10-11,13-14,18H,4-9H2,1-3H3,(H,16,17)/b11-10+.
What are the key properties of methyl (E)-2-acetamido-5-hydroxydodec-3-enoate?
methyl (E)-2-acetamido-5-hydroxydodec-3-enoate has a molecular weight of 285.38 g/mol, XLogP of 1.94, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-acetamido-5-hydroxydodec-3-enoate is sourced from PubChem (CID 58572061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).