4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid

C10H16F2N2O3 — CID 175824318

IUPAC4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid
SMILESO=CNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H16F2N2O3/c11-10(12)3-1-4-14(6-10)5-2-8(9(16)17)13-7-15/h7-8H,1-6H2,(H,13,15)(H,16,17)
InChIKeyMQNHYUKOGXHYFF-UHFFFAOYSA-N
MW250.24 g/mol
LogP0.31
Rot. Bonds6

About 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid

4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid (PubChem CID 175824318) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid
PubChem CID175824318
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid
SMILESO=CNC(CCN1CCCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H16F2N2O3/c11-10(12)3-1-4-14(6-10)5-2-8(9(16)17)13-7-15/h7-8H,1-6H2,(H,13,15)(H,16,17)
InChIKeyMQNHYUKOGXHYFF-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 50.31
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 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid (CID 175824318) is 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid is O=CNC(CCN1CCCC(F)(F)C1)C(=O)O.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid?
The InChIKey is MQNHYUKOGXHYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c11-10(12)3-1-4-14(6-10)5-2-8(9(16)17)13-7-15/h7-8H,1-6H2,(H,13,15)(H,16,17).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid?
4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid has a molecular weight of 250.24 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanoic acid is sourced from PubChem (CID 175824318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).