(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid

C16H31NO3 — CID 91371915

IUPAC(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid
SMILESCCC[C@@H](CCCCC=CCCCC(=O)O)NCCO
InChIInChI=1S/C16H31NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5,15,17-18H,2,4,6-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyUJSNIVLVZVWRNG-HNNXBMFYSA-N
MW285.43 g/mol
LogP3.11
Rot. Bonds14

About (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid

(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid (PubChem CID 91371915) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid.

Molecular Properties

Compound Name(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid
PubChem CID91371915
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid
SMILESCCC[C@@H](CCCCC=CCCCC(=O)O)NCCO
InChIInChI=1S/C16H31NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5,15,17-18H,2,4,6-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyUJSNIVLVZVWRNG-HNNXBMFYSA-N
XLogP3.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.11
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid?
The IUPAC name of (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid (CID 91371915) is (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid.
What is the SMILES notation for (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid?
The canonical SMILES for (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid is CCC[C@@H](CCCCC=CCCCC(=O)O)NCCO.
What is the InChIKey of (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid?
The InChIKey is UJSNIVLVZVWRNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-2-10-15(17-13-14-18)11-8-6-4-3-5-7-9-12-16(19)20/h3,5,15,17-18H,2,4,6-14H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid?
(11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.11, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-11-(2-hydroxyethylamino)tetradec-5-enoic acid is sourced from PubChem (CID 91371915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).