3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate

C20H23FN2O3 — CID 94332991

IUPAC3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCCCc1cccnc1
InChIInChI=1S/C20H23FN2O3/c1-14(2)18(23-19(24)16-7-9-17(21)10-8-16)20(25)26-12-4-6-15-5-3-11-22-13-15/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyDXKICBSUAKFSCO-GOSISDBHSA-N
MW358.41 g/mol
LogP3.15
Rot. Bonds8

About 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate

3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate (PubChem CID 94332991) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
PubChem CID94332991
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
SMILESCC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCCCc1cccnc1
InChIInChI=1S/C20H23FN2O3/c1-14(2)18(23-19(24)16-7-9-17(21)10-8-16)20(25)26-12-4-6-15-5-3-11-22-13-15/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyDXKICBSUAKFSCO-GOSISDBHSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyridin-3-ylpropyl 2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 78772419
2-(2-oxo-1-pyridinyl)ethyl 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate
CID 86865801
4-fluoro-N-[3-methyl-1-oxo-1-(1-pyridin-3-ylethylamino)butan-2-yl]benzamide
CID 18168796
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propyl (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 55939021
1-(4-fluorophenyl)-4-pyridin-3-ylbutan-1-one
CID 57095920
3-pyridin-3-ylpropyl 2-sulfanylbutanoate
CID 88778268
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
(4-fluorophenyl)methyl (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate
CID 7564642
4-fluoro-N-(1-pyridin-3-ylethyl)benzamide
CID 18162974
1-(4-fluorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62051227
dodecyl 2-[(3-fluorobenzoyl)amino]-3-methylbutanoate
CID 91731864
methyl N-(4-fluorobenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 4125300

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The IUPAC name of 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate (CID 94332991) is 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate.
What is the SMILES notation for 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The canonical SMILES for 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate is CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCCCc1cccnc1.
What is the InChIKey of 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
The InChIKey is DXKICBSUAKFSCO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-14(2)18(23-19(24)16-7-9-17(21)10-8-16)20(25)26-12-4-6-15-5-3-11-22-13-15/h3,5,7-11,13-14,18H,4,6,12H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate?
3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate has a molecular weight of 358.41 g/mol, XLogP of 3.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl (2R)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoate is sourced from PubChem (CID 94332991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).