7-(2-propylpentanoylamino)heptanoic acid

C15H29NO3 — CID 82985548

IUPAC7-(2-propylpentanoylamino)heptanoic acid
SMILESCCCC(CCC)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-3-9-13(10-4-2)15(19)16-12-8-6-5-7-11-14(17)18/h13H,3-12H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOJSGRYPMLDGAJB-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.35
Rot. Bonds12

About 7-(2-propylpentanoylamino)heptanoic acid

7-(2-propylpentanoylamino)heptanoic acid (PubChem CID 82985548) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 7-(2-propylpentanoylamino)heptanoic acid.

Molecular Properties

Compound Name7-(2-propylpentanoylamino)heptanoic acid
PubChem CID82985548
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name7-(2-propylpentanoylamino)heptanoic acid
SMILESCCCC(CCC)C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C15H29NO3/c1-3-9-13(10-4-2)15(19)16-12-8-6-5-7-11-14(17)18/h13H,3-12H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyOJSGRYPMLDGAJB-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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Related Compounds

6-(2-butyloctanoylamino)hexanoic acid
CID 175445274
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
2-ethyl-N-undecylpentanamide
CID 160695439
7-(2-methylbutanoylamino)heptanoic acid
CID 24690343
N-octadecyl-2-octylicosanamide
CID 154636535
4-(2-methylpentanoylamino)butanoic acid
CID 43209777
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
16-(butanoylamino)hexadecanoic acid
CID 118711043
6-(octan-4-ylcarbamoylamino)hexanoic acid
CID 106020478
11-(dodecanoylamino)undecanoic acid
CID 4163254

Frequently Asked Questions

What is the IUPAC name of 7-(2-propylpentanoylamino)heptanoic acid?
The IUPAC name of 7-(2-propylpentanoylamino)heptanoic acid (CID 82985548) is 7-(2-propylpentanoylamino)heptanoic acid.
What is the SMILES notation for 7-(2-propylpentanoylamino)heptanoic acid?
The canonical SMILES for 7-(2-propylpentanoylamino)heptanoic acid is CCCC(CCC)C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-(2-propylpentanoylamino)heptanoic acid?
The InChIKey is OJSGRYPMLDGAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-3-9-13(10-4-2)15(19)16-12-8-6-5-7-11-14(17)18/h13H,3-12H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 7-(2-propylpentanoylamino)heptanoic acid?
7-(2-propylpentanoylamino)heptanoic 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 7-(2-propylpentanoylamino)heptanoic acid is sourced from PubChem (CID 82985548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).