2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid

C19H27FN2O4 — CID 119252939

IUPAC2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)C(=O)O
InChIInChI=1S/C19H27FN2O4/c1-11(2)9-14(19(25)26)10-21-18(24)16(12(3)4)22-17(23)13-5-7-15(20)8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyWBRAGODYMDOWRC-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.44
Rot. Bonds9

About 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid

2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 119252939) has the molecular formula C19H27FN2O4 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid
PubChem CID119252939
Molecular FormulaC19H27FN2O4
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid
SMILESCC(C)CC(CNC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)C(=O)O
InChIInChI=1S/C19H27FN2O4/c1-11(2)9-14(19(25)26)10-21-18(24)16(12(3)4)22-17(23)13-5-7-15(20)8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3,(H,21,24)(H,22,23)(H,25,26)
InChIKeyWBRAGODYMDOWRC-UHFFFAOYSA-N
XLogP2.44
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid with MolForge

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Related Compounds

4-methyl-2-[[[4-(propan-2-ylcarbamoyl)benzoyl]amino]methyl]pentanoic acid
CID 120528496
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
4-fluoro-N-[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]benzamide
CID 8008521
4-fluoro-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119431360
N-[1-[[3-amino-2-[(4-fluorophenyl)methyl]-3-oxopropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 47074597
N-[1-[[2-(dimethylamino)-3-phenylpropyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 55337367
(2R)-2-[(4-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 2451208
N-[1-[(4-fluorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 3911653
ethyl 4-[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzoate
CID 4805935
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 119237337
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid (CID 119252939) is 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid is CC(C)CC(CNC(=O)C(NC(=O)c1ccc(F)cc1)C(C)C)C(=O)O.
What is the InChIKey of 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is WBRAGODYMDOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O4/c1-11(2)9-14(19(25)26)10-21-18(24)16(12(3)4)22-17(23)13-5-7-15(20)8-6-13/h5-8,11-12,14,16H,9-10H2,1-4H3,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid?
2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 366.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 119252939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).