N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide

C15H24FN3O2 — CID 128974374

IUPACN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)CC1=CCCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-7-13(19(9-12)10-14(17)20)8-18-15(21)6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyNIXZXILNSGAVNF-STQMWFEESA-N
MW297.37 g/mol
LogP0.89
Rot. Bonds6

About N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide

N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 128974374) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide
PubChem CID128974374
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC NameN-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide
SMILESNC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)CC1=CCCCC1
InChIInChI=1S/C15H24FN3O2/c16-12-7-13(19(9-12)10-14(17)20)8-18-15(21)6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,20)(H,18,21)/t12-,13-/m0/s1
InChIKeyNIXZXILNSGAVNF-STQMWFEESA-N
XLogP0.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide (CID 128974374) is N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide is NC(=O)CN1C[C@@H](F)C[C@H]1CNC(=O)CC1=CCCCC1.
What is the InChIKey of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is NIXZXILNSGAVNF-STQMWFEESA-N. The full InChI is InChI=1S/C15H24FN3O2/c16-12-7-13(19(9-12)10-14(17)20)8-18-15(21)6-11-4-2-1-3-5-11/h4,12-13H,1-3,5-10H2,(H2,17,20)(H,18,21)/t12-,13-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide?
N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 297.37 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-(2-amino-2-oxoethyl)-4-fluoropyrrolidin-2-yl]methyl]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 128974374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).