methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate

C14H18FNO3 — CID 60645470

IUPACmethyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccccc1F)C(=O)OC
InChIInChI=1S/C14H18FNO3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,17)
InChIKeySGYOXYFJKFPQPR-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.14
Rot. Bonds5

About methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate

methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate (PubChem CID 60645470) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
PubChem CID60645470
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccccc1F)C(=O)OC
InChIInChI=1S/C14H18FNO3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,17)
InChIKeySGYOXYFJKFPQPR-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate 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

methyl 2-[[2-(ethylamino)benzoyl]amino]-3-methylpentanoate
CID 63107982
methyl (2S,3S)-2-benzamido-3-methylpentanoate
CID 13148833
N-[(2S)-1-(2-cyanoethylamino)-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 127054389
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-methylpentanoate
CID 59948762
methyl (2S,3S)-2-[(2-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 122158474
2,3-difluoro-N-(3-methylpentan-2-yl)benzamide
CID 62660589
methyl (2S,3S)-3-methyl-2-[(1-oxo-2,3-dihydroindene-4-carbonyl)amino]pentanoate
CID 91110567
N-[1-[benzyl(2-phenylethyl)amino]-3-methyl-1-oxopentan-2-yl]-2-fluorobenzamide
CID 42703969
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
methyl (2R)-2-[(2-ethylbenzoyl)amino]-3-methylbutanoate
CID 124596647
methyl 2-[(3-bromo-4-fluorobenzoyl)amino]-3-methylpentanoate
CID 103706697

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate (CID 60645470) is methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate?
The InChIKey is SGYOXYFJKFPQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-4-9(2)12(14(18)19-3)16-13(17)10-7-5-6-8-11(10)15/h5-9,12H,4H2,1-3H3,(H,16,17).
What are the key properties of methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate?
methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate has a molecular weight of 267.30 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-fluorobenzoyl)amino]-3-methylpentanoate is sourced from PubChem (CID 60645470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).