9-amino-3-hydroxyundecanoic acid

C11H23NO3 — CID 175426923

IUPAC9-amino-3-hydroxyundecanoic acid
SMILESCCC(N)CCCCCC(O)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-2-9(12)6-4-3-5-7-10(13)8-11(14)15/h9-10,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyMVQSPQFGVKSLPD-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.51
Rot. Bonds9

About 9-amino-3-hydroxyundecanoic acid

9-amino-3-hydroxyundecanoic acid (PubChem CID 175426923) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 9-amino-3-hydroxyundecanoic acid.

Molecular Properties

Compound Name9-amino-3-hydroxyundecanoic acid
PubChem CID175426923
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name9-amino-3-hydroxyundecanoic acid
SMILESCCC(N)CCCCCC(O)CC(=O)O
InChIInChI=1S/C11H23NO3/c1-2-9(12)6-4-3-5-7-10(13)8-11(14)15/h9-10,13H,2-8,12H2,1H3,(H,14,15)
InChIKeyMVQSPQFGVKSLPD-UHFFFAOYSA-N
XLogP1.51
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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(3R,14R)-3,14-dihydroxypentadecanoic acid
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(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
3-hydroxydodecanedioic acid
CID 16663321
3-hydroxyheptadecanedioic acid
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3-aminononanoic acid
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Frequently Asked Questions

What is the IUPAC name of 9-amino-3-hydroxyundecanoic acid?
The IUPAC name of 9-amino-3-hydroxyundecanoic acid (CID 175426923) is 9-amino-3-hydroxyundecanoic acid.
What is the SMILES notation for 9-amino-3-hydroxyundecanoic acid?
The canonical SMILES for 9-amino-3-hydroxyundecanoic acid is CCC(N)CCCCCC(O)CC(=O)O.
What is the InChIKey of 9-amino-3-hydroxyundecanoic acid?
The InChIKey is MVQSPQFGVKSLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-9(12)6-4-3-5-7-10(13)8-11(14)15/h9-10,13H,2-8,12H2,1H3,(H,14,15).
What are the key properties of 9-amino-3-hydroxyundecanoic acid?
9-amino-3-hydroxyundecanoic acid has a molecular weight of 217.31 g/mol, XLogP of 1.51, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-hydroxyundecanoic acid is sourced from PubChem (CID 175426923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).