(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid

C15H19FN2O4 — CID 119363829

IUPAC(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)N[C@H](CC(C)C)C(=O)O)c1
InChIInChI=1S/C15H19FN2O4/c1-8(2)6-13(15(21)22)18-14(20)11-7-10(17-9(3)19)4-5-12(11)16/h4-5,7-8,13H,6H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyAHUXNBCXFCKVER-CYBMUJFWSA-N
MW310.33 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid

(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid (PubChem CID 119363829) has the molecular formula C15H19FN2O4 and a molecular weight of 310.33 g/mol. Its IUPAC name is (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
PubChem CID119363829
Molecular FormulaC15H19FN2O4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
SMILESCC(=O)Nc1ccc(F)c(C(=O)N[C@H](CC(C)C)C(=O)O)c1
InChIInChI=1S/C15H19FN2O4/c1-8(2)6-13(15(21)22)18-14(20)11-7-10(17-9(3)19)4-5-12(11)16/h4-5,7-8,13H,6H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1
InChIKeyAHUXNBCXFCKVER-CYBMUJFWSA-N
XLogP2.01
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
CID 119348788
(E)-2-[(5-acetamido-2-fluorobenzoyl)amino]hex-4-enoic acid
CID 120694236
(2R)-2-[[2-fluoro-5-(trifluoromethyl)benzoyl]amino]-4-methylpentanoic acid
CID 119363874
(2S)-2-[(2-fluoro-5-nitrobenzoyl)amino]-4-methylpentanoic acid
CID 61137775
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854
2-[(4-chloro-3-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61468440
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2R)-2-[(3,4-difluorobenzoyl)amino]-4-methylpentanoic acid
CID 42256010
(2R)-2-[(4,5-difluoro-2-iodobenzoyl)amino]-4-methylpentanoic acid
CID 119364479
2-fluoro-5-[[4-methyl-2-[(2-methylbenzoyl)amino]pentanoyl]amino]benzamide
CID 55612429
(2R)-2-[[(2S)-2-[(4-chlorophenyl)carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 40551472
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid (CID 119363829) is (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid is CC(=O)Nc1ccc(F)c(C(=O)N[C@H](CC(C)C)C(=O)O)c1.
What is the InChIKey of (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid?
The InChIKey is AHUXNBCXFCKVER-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-8(2)6-13(15(21)22)18-14(20)11-7-10(17-9(3)19)4-5-12(11)16/h4-5,7-8,13H,6H2,1-3H3,(H,17,19)(H,18,20)(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid?
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid has a molecular weight of 310.33 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119363829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).