2-(3-acetamidopropyl)decanoic acid

C15H29NO3 — CID 21259502

IUPAC2-(3-acetamidopropyl)decanoic acid
SMILESCCCCCCCCC(CCCNC(C)=O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-10-14(15(18)19)11-9-12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKMGLQVPYXIKWFD-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.35
Rot. Bonds12

About 2-(3-acetamidopropyl)decanoic acid

2-(3-acetamidopropyl)decanoic acid (PubChem CID 21259502) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3-acetamidopropyl)decanoic acid.

Molecular Properties

Compound Name2-(3-acetamidopropyl)decanoic acid
PubChem CID21259502
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name2-(3-acetamidopropyl)decanoic acid
SMILESCCCCCCCCC(CCCNC(C)=O)C(=O)O
InChIInChI=1S/C15H29NO3/c1-3-4-5-6-7-8-10-14(15(18)19)11-9-12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyKMGLQVPYXIKWFD-UHFFFAOYSA-N
XLogP3.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropyl)decanoic acid?
The IUPAC name of 2-(3-acetamidopropyl)decanoic acid (CID 21259502) is 2-(3-acetamidopropyl)decanoic acid.
What is the SMILES notation for 2-(3-acetamidopropyl)decanoic acid?
The canonical SMILES for 2-(3-acetamidopropyl)decanoic acid is CCCCCCCCC(CCCNC(C)=O)C(=O)O.
What is the InChIKey of 2-(3-acetamidopropyl)decanoic acid?
The InChIKey is KMGLQVPYXIKWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-10-14(15(18)19)11-9-12-16-13(2)17/h14H,3-12H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-acetamidopropyl)decanoic acid?
2-(3-acetamidopropyl)decanoic acid has a molecular weight of 271.40 g/mol, XLogP of 3.35, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropyl)decanoic acid is sourced from PubChem (CID 21259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).