6-amino-2-prop-2-enoylhexanoic acid

C9H15NO3 — CID 22633803

IUPAC6-amino-2-prop-2-enoylhexanoic acid
SMILESC=CC(=O)C(CCCCN)C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-8(11)7(9(12)13)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,12,13)
InChIKeyFMPGQHYZYWZIKL-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.57
Rot. Bonds7

About 6-amino-2-prop-2-enoylhexanoic acid

6-amino-2-prop-2-enoylhexanoic acid (PubChem CID 22633803) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 6-amino-2-prop-2-enoylhexanoic acid.

Molecular Properties

Compound Name6-amino-2-prop-2-enoylhexanoic acid
PubChem CID22633803
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name6-amino-2-prop-2-enoylhexanoic acid
SMILESC=CC(=O)C(CCCCN)C(=O)O
InChIInChI=1S/C9H15NO3/c1-2-8(11)7(9(12)13)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,12,13)
InChIKeyFMPGQHYZYWZIKL-UHFFFAOYSA-N
XLogP0.57
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-prop-2-enoylhexanoic acid?
The IUPAC name of 6-amino-2-prop-2-enoylhexanoic acid (CID 22633803) is 6-amino-2-prop-2-enoylhexanoic acid.
What is the SMILES notation for 6-amino-2-prop-2-enoylhexanoic acid?
The canonical SMILES for 6-amino-2-prop-2-enoylhexanoic acid is C=CC(=O)C(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-prop-2-enoylhexanoic acid?
The InChIKey is FMPGQHYZYWZIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)7(9(12)13)5-3-4-6-10/h2,7H,1,3-6,10H2,(H,12,13).
What are the key properties of 6-amino-2-prop-2-enoylhexanoic acid?
6-amino-2-prop-2-enoylhexanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-prop-2-enoylhexanoic acid is sourced from PubChem (CID 22633803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).