(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide

C9H16N2O2 — CID 129130462

IUPAC(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide
SMILESC/C=C\C=C/CNC(=O)[C@@H](N)CO
InChIInChI=1S/C9H16N2O2/c1-2-3-4-5-6-11-9(13)8(10)7-12/h2-5,8,12H,6-7,10H2,1H3,(H,11,13)/b3-2-,5-4-/t8-/m0/s1
InChIKeyABQPKBJMEDKYBN-GXVIBVIBSA-N
MW184.24 g/mol
LogP-0.45
Rot. Bonds5

About (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide

(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide (PubChem CID 129130462) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide
PubChem CID129130462
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide
SMILESC/C=C\C=C/CNC(=O)[C@@H](N)CO
InChIInChI=1S/C9H16N2O2/c1-2-3-4-5-6-11-9(13)8(10)7-12/h2-5,8,12H,6-7,10H2,1H3,(H,11,13)/b3-2-,5-4-/t8-/m0/s1
InChIKeyABQPKBJMEDKYBN-GXVIBVIBSA-N
XLogP-0.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide?
The IUPAC name of (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide (CID 129130462) is (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide is C/C=C\C=C/CNC(=O)[C@@H](N)CO.
What is the InChIKey of (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide?
The InChIKey is ABQPKBJMEDKYBN-GXVIBVIBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-3-4-5-6-11-9(13)8(10)7-12/h2-5,8,12H,6-7,10H2,1H3,(H,11,13)/b3-2-,5-4-/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide?
(2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide has a molecular weight of 184.24 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2Z,4Z)-hexa-2,4-dienyl]-3-hydroxypropanamide is sourced from PubChem (CID 129130462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).