(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol

C14H29NO2 — CID 10562206

IUPAC(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
SMILESCCCCCC/C=C\CCC[C@@H](O)[C@H](N)CO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h7-8,13-14,16-17H,2-6,9-12,15H2,1H3/b8-7-/t13-,14-/m1/s1
InChIKeyGAPOVTCESQJLFA-JUBSNLHESA-N
MW243.39 g/mol
LogP2.36
Rot. Bonds11

About (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol

(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol (PubChem CID 10562206) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol.

Molecular Properties

Compound Name(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
PubChem CID10562206
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol
SMILESCCCCCC/C=C\CCC[C@@H](O)[C@H](N)CO
InChIInChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h7-8,13-14,16-17H,2-6,9-12,15H2,1H3/b8-7-/t13-,14-/m1/s1
InChIKeyGAPOVTCESQJLFA-JUBSNLHESA-N
XLogP2.36
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.36
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 (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol?
The IUPAC name of (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol (CID 10562206) is (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol.
What is the SMILES notation for (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol?
The canonical SMILES for (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol is CCCCCC/C=C\CCC[C@@H](O)[C@H](N)CO.
What is the InChIKey of (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol?
The InChIKey is GAPOVTCESQJLFA-JUBSNLHESA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14(17)13(15)12-16/h7-8,13-14,16-17H,2-6,9-12,15H2,1H3/b8-7-/t13-,14-/m1/s1.
What are the key properties of (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol?
(Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol has a molecular weight of 243.39 g/mol, XLogP of 2.36, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,3R)-2-aminotetradec-7-ene-1,3-diol is sourced from PubChem (CID 10562206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).