amino 7-hydroxytetradecanoate

C14H29NO3 — CID 57067811

IUPACamino 7-hydroxytetradecanoate
SMILESCCCCCCCC(O)CCCCCC(=O)ON
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)11-8-6-9-12-14(17)18-15/h13,16H,2-12,15H2,1H3
InChIKeyYSGJXWFBSMIFCW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.08
Rot. Bonds12

About amino 7-hydroxytetradecanoate

amino 7-hydroxytetradecanoate (PubChem CID 57067811) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is amino 7-hydroxytetradecanoate.

Molecular Properties

Compound Nameamino 7-hydroxytetradecanoate
PubChem CID57067811
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Nameamino 7-hydroxytetradecanoate
SMILESCCCCCCCC(O)CCCCCC(=O)ON
InChIInChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)11-8-6-9-12-14(17)18-15/h13,16H,2-12,15H2,1H3
InChIKeyYSGJXWFBSMIFCW-UHFFFAOYSA-N
XLogP3.08
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl hexanoate;icosan-9-ol
CID 170307384
ethyl 9-hydroxyhexadecanoate
CID 129223650
decanoyl 7-hydroxyoctacosanoate
CID 91199944
hexadecanoyl 9-hydroxyheptadecanoate
CID 150036681
10-hydroxyhexadecanoyl 12-hydroxydocosanoate
CID 174632216
dodecanoyl 12-hydroxyoctadecanoate
CID 88699901
6-(10-hydroxyoctadecanoyloxy)hexyl 10-hydroxyoctadecanoate
CID 87579324
[(12R)-12-hydroxyoctadecyl] docosanoate
CID 98048529
[(2R)-2-hydroxytriacontyl] (12S)-12-hydroxyoctadecanoate
CID 99712599
dotriacontyl 12-hydroxyoctadecanoate
CID 139650763
12-hydroxyoctadecyl octadecanoate
CID 87534486
octadecyl 13-hydroxyoctadecanoate
CID 139650754

Frequently Asked Questions

What is the IUPAC name of amino 7-hydroxytetradecanoate?
The IUPAC name of amino 7-hydroxytetradecanoate (CID 57067811) is amino 7-hydroxytetradecanoate.
What is the SMILES notation for amino 7-hydroxytetradecanoate?
The canonical SMILES for amino 7-hydroxytetradecanoate is CCCCCCCC(O)CCCCCC(=O)ON.
What is the InChIKey of amino 7-hydroxytetradecanoate?
The InChIKey is YSGJXWFBSMIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-2-3-4-5-7-10-13(16)11-8-6-9-12-14(17)18-15/h13,16H,2-12,15H2,1H3.
What are the key properties of amino 7-hydroxytetradecanoate?
amino 7-hydroxytetradecanoate has a molecular weight of 259.39 g/mol, XLogP of 3.08, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino 7-hydroxytetradecanoate is sourced from PubChem (CID 57067811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).