2-[formyl(propan-2-yl)amino]heptanoic acid

C11H21NO3 — CID 63687564

IUPAC2-[formyl(propan-2-yl)amino]heptanoic acid
SMILESCCCCCC(C(=O)O)N(C=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-10(11(14)15)12(8-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyLRYFCJKJUIKUSS-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 2-[formyl(propan-2-yl)amino]heptanoic acid

2-[formyl(propan-2-yl)amino]heptanoic acid (PubChem CID 63687564) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[formyl(propan-2-yl)amino]heptanoic acid.

Molecular Properties

Compound Name2-[formyl(propan-2-yl)amino]heptanoic acid
PubChem CID63687564
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[formyl(propan-2-yl)amino]heptanoic acid
SMILESCCCCCC(C(=O)O)N(C=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-4-5-6-7-10(11(14)15)12(8-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,15)
InChIKeyLRYFCJKJUIKUSS-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(propan-2-yl)amino]nonanoic acid
CID 55234606
2-(dimethylamino)tetracosanoic acid
CID 19101458
2-(diethylamino)heptanoic acid
CID 43803668
2-[ethyl(formyl)amino]hexanoic acid
CID 63687944
2-(dimethylamino)tetradecanoic acid;hydroiodide
CID 122684236
2-(dimethylamino)pentadecanoic acid;hydrochloride
CID 87499144
2-(dimethylamino)hexacosanoic acid;hydrobromide
CID 173436774
2-[formyl(propyl)amino]hexanoic acid
CID 63689279
2-(dimethylamino)icosanoic acid;2-(dimethylamino)propanoic acid
CID 174688872
2-[2-[1-carboxyheptyl(ethyl)amino]ethyl-ethylamino]octanoic acid
CID 100970199
2-(dimethylamino)hexadecanoic acid;methoxymethane
CID 175149537
2-[dodecyl(methyl)amino]icosanoic acid
CID 139370856

Frequently Asked Questions

What is the IUPAC name of 2-[formyl(propan-2-yl)amino]heptanoic acid?
The IUPAC name of 2-[formyl(propan-2-yl)amino]heptanoic acid (CID 63687564) is 2-[formyl(propan-2-yl)amino]heptanoic acid.
What is the SMILES notation for 2-[formyl(propan-2-yl)amino]heptanoic acid?
The canonical SMILES for 2-[formyl(propan-2-yl)amino]heptanoic acid is CCCCCC(C(=O)O)N(C=O)C(C)C.
What is the InChIKey of 2-[formyl(propan-2-yl)amino]heptanoic acid?
The InChIKey is LRYFCJKJUIKUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-5-6-7-10(11(14)15)12(8-13)9(2)3/h8-10H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[formyl(propan-2-yl)amino]heptanoic acid?
2-[formyl(propan-2-yl)amino]heptanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl(propan-2-yl)amino]heptanoic acid is sourced from PubChem (CID 63687564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).