5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid

C11H19FN2O3 — CID 175824284

IUPAC5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid
SMILESCC1(F)CCN(CCCC(NC=O)C(=O)O)C1
InChIInChI=1S/C11H19FN2O3/c1-11(12)4-6-14(7-11)5-2-3-9(10(16)17)13-8-15/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyMNHLRTACMGNIHQ-UHFFFAOYSA-N
MW246.28 g/mol
LogP0.40
Rot. Bonds7

About 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid

5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid (PubChem CID 175824284) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid.

Molecular Properties

Compound Name5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid
PubChem CID175824284
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Name5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid
SMILESCC1(F)CCN(CCCC(NC=O)C(=O)O)C1
InChIInChI=1S/C11H19FN2O3/c1-11(12)4-6-14(7-11)5-2-3-9(10(16)17)13-8-15/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyMNHLRTACMGNIHQ-UHFFFAOYSA-N
XLogP0.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid?
The IUPAC name of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid (CID 175824284) is 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid.
What is the SMILES notation for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid?
The canonical SMILES for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid is CC1(F)CCN(CCCC(NC=O)C(=O)O)C1.
What is the InChIKey of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid?
The InChIKey is MNHLRTACMGNIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-11(12)4-6-14(7-11)5-2-3-9(10(16)17)13-8-15/h8-9H,2-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid?
5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid has a molecular weight of 246.28 g/mol, XLogP of 0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylpyrrolidin-1-yl)-2-formamidopentanoic acid is sourced from PubChem (CID 175824284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).