3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid

C11H22N2O3 — CID 101284178

IUPAC3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid
SMILESCCCC/C(O)=C/NCCNCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16/h9,12-14H,2-8H2,1H3,(H,15,16)/b10-9-
InChIKeyFERYHOOUSROIFX-KTKRTIGZSA-N
MW230.31 g/mol
LogP1.23
Rot. Bonds10

About 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid

3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid (PubChem CID 101284178) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid
PubChem CID101284178
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid
SMILESCCCC/C(O)=C/NCCNCCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16/h9,12-14H,2-8H2,1H3,(H,15,16)/b10-9-
InChIKeyFERYHOOUSROIFX-KTKRTIGZSA-N
XLogP1.23
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid?
The IUPAC name of 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid (CID 101284178) is 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid.
What is the SMILES notation for 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid?
The canonical SMILES for 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid is CCCC/C(O)=C/NCCNCCC(=O)O.
What is the InChIKey of 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid?
The InChIKey is FERYHOOUSROIFX-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-3-4-10(14)9-13-8-7-12-6-5-11(15)16/h9,12-14H,2-8H2,1H3,(H,15,16)/b10-9-.
What are the key properties of 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid?
3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.23, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(Z)-2-hydroxyhex-1-enyl]amino]ethylamino]propanoic acid is sourced from PubChem (CID 101284178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).