(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide

C13H24N2O2 — CID 87282928

IUPAC(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)[C@@H](N)CO
InChIInChI=1S/C13H24N2O2/c1-10(2)5-4-6-11(3)7-8-15-13(17)12(14)9-16/h5,7,12,16H,4,6,8-9,14H2,1-3H3,(H,15,17)/b11-7+/t12-/m0/s1
InChIKeyRCHSIBRVJIATSB-VNKGSWCUSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds7

About (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide

(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide (PubChem CID 87282928) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide
PubChem CID87282928
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)[C@@H](N)CO
InChIInChI=1S/C13H24N2O2/c1-10(2)5-4-6-11(3)7-8-15-13(17)12(14)9-16/h5,7,12,16H,4,6,8-9,14H2,1-3H3,(H,15,17)/b11-7+/t12-/m0/s1
InChIKeyRCHSIBRVJIATSB-VNKGSWCUSA-N
XLogP1.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide (CID 87282928) is (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide is CC(C)=CCC/C(C)=C/CNC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide?
The InChIKey is RCHSIBRVJIATSB-VNKGSWCUSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)5-4-6-11(3)7-8-15-13(17)12(14)9-16/h5,7,12,16H,4,6,8-9,14H2,1-3H3,(H,15,17)/b11-7+/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide?
(2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide has a molecular weight of 240.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-hydroxypropanamide is sourced from PubChem (CID 87282928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).