(3S)-3-acetamidononanoic acid

C11H21NO3 — CID 2195186

IUPAC(3S)-3-acetamidononanoic acid
SMILESCCCCCC[C@@H](CC(=O)O)NC(C)=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-10(8-11(14)15)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyVMIOCPMZZAXBSE-JTQLQIEISA-N
MW215.29 g/mol
LogP1.94
Rot. Bonds8

About (3S)-3-acetamidononanoic acid

(3S)-3-acetamidononanoic acid (PubChem CID 2195186) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3S)-3-acetamidononanoic acid.

Molecular Properties

Compound Name(3S)-3-acetamidononanoic acid
PubChem CID2195186
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3S)-3-acetamidononanoic acid
SMILESCCCCCC[C@@H](CC(=O)O)NC(C)=O
InChIInChI=1S/C11H21NO3/c1-3-4-5-6-7-10(8-11(14)15)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKeyVMIOCPMZZAXBSE-JTQLQIEISA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentadecan-4-ylacetamide
CID 87419548
3-(propylamino)octanoic acid
CID 65236030
N-(1-fluorooctan-3-yl)acetamide
CID 45120198
tetracosan-7-ylcarbamic acid
CID 174971308
2-acetamidotetracosanoic acid
CID 13224380
3-acetamido-5-aminopentanoic acid
CID 91746269
3-heptylpentanedioic acid
CID 14574131
3-tetradecyloctadecanoic acid
CID 18954670
3-(3-acetamidopropyl)undecanoic acid
CID 21259482
(3S)-3-methylhexadecanoic acid
CID 54227409
3-aminononanoic acid
CID 2832746
3-sulfanylhenicosanoic acid
CID 57128835

Frequently Asked Questions

What is the IUPAC name of (3S)-3-acetamidononanoic acid?
The IUPAC name of (3S)-3-acetamidononanoic acid (CID 2195186) is (3S)-3-acetamidononanoic acid.
What is the SMILES notation for (3S)-3-acetamidononanoic acid?
The canonical SMILES for (3S)-3-acetamidononanoic acid is CCCCCC[C@@H](CC(=O)O)NC(C)=O.
What is the InChIKey of (3S)-3-acetamidononanoic acid?
The InChIKey is VMIOCPMZZAXBSE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-4-5-6-7-10(8-11(14)15)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-3-acetamidononanoic acid?
(3S)-3-acetamidononanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-acetamidononanoic acid is sourced from PubChem (CID 2195186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).