2-[acetyl(propan-2-yl)amino]nonanoic acid

C14H27NO3 — CID 55234606

IUPAC2-[acetyl(propan-2-yl)amino]nonanoic acid
SMILESCCCCCCCC(C(=O)O)N(C(C)=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-13(14(17)18)15(11(2)3)12(4)16/h11,13H,5-10H2,1-4H3,(H,17,18)
InChIKeyMYGCESKUTHAOCK-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds9

About 2-[acetyl(propan-2-yl)amino]nonanoic acid

2-[acetyl(propan-2-yl)amino]nonanoic acid (PubChem CID 55234606) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]nonanoic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]nonanoic acid
PubChem CID55234606
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-[acetyl(propan-2-yl)amino]nonanoic acid
SMILESCCCCCCCC(C(=O)O)N(C(C)=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-5-6-7-8-9-10-13(14(17)18)15(11(2)3)12(4)16/h11,13H,5-10H2,1-4H3,(H,17,18)
InChIKeyMYGCESKUTHAOCK-UHFFFAOYSA-N
XLogP3.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(propyl)amino]octanoic acid
CID 63702958
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-[acetyl(cyclopropyl)amino]octanoic acid
CID 55232991
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-[formyl(propan-2-yl)amino]heptanoic acid
CID 63687564
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-(diethylamino)heptanoic acid
CID 43803668
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]nonanoic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]nonanoic acid (CID 55234606) is 2-[acetyl(propan-2-yl)amino]nonanoic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]nonanoic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]nonanoic acid is CCCCCCCC(C(=O)O)N(C(C)=O)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]nonanoic acid?
The InChIKey is MYGCESKUTHAOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-7-8-9-10-13(14(17)18)15(11(2)3)12(4)16/h11,13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[acetyl(propan-2-yl)amino]nonanoic acid?
2-[acetyl(propan-2-yl)amino]nonanoic acid has a molecular weight of 257.37 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]nonanoic acid is sourced from PubChem (CID 55234606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).