7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid

C14H24N2O4 — CID 166263523

IUPAC7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
SMILESO=C(O)CCCCCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O4/c17-12(6-2-1-3-7-14(19)20)15-9-8-13(18)16-10-4-5-11-16/h1-11H2,(H,15,17)(H,19,20)
InChIKeyFRHSWVCZTYWSCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.15
Rot. Bonds9

About 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid

7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid (PubChem CID 166263523) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
PubChem CID166263523
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
SMILESO=C(O)CCCCCC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C14H24N2O4/c17-12(6-2-1-3-7-14(19)20)15-9-8-13(18)16-10-4-5-11-16/h1-11H2,(H,15,17)(H,19,20)
InChIKeyFRHSWVCZTYWSCC-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-oxo-3-piperidin-1-ylpropyl)butanamide
CID 70095936
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]acetic acid
CID 115581972
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701
(E)-4-oxo-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]but-2-enoic acid
CID 54867615

Frequently Asked Questions

What is the IUPAC name of 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid?
The IUPAC name of 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid (CID 166263523) is 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid.
What is the SMILES notation for 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid?
The canonical SMILES for 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid is O=C(O)CCCCCC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid?
The InChIKey is FRHSWVCZTYWSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-12(6-2-1-3-7-14(19)20)15-9-8-13(18)16-10-4-5-11-16/h1-11H2,(H,15,17)(H,19,20).
What are the key properties of 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid?
7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid is sourced from PubChem (CID 166263523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).