(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid

C15H20FNO3 — CID 124682644

IUPAC(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)8-13(15(19)20)17-14(18)10(3)11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,18)(H,19,20)/t10-,13+/m0/s1
InChIKeyKQZKWIVMXSGJLO-GXFFZTMASA-N
MW281.33 g/mol
LogP2.54
Rot. Bonds6

About (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid

(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid (PubChem CID 124682644) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
PubChem CID124682644
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)O
InChIInChI=1S/C15H20FNO3/c1-9(2)8-13(15(19)20)17-14(18)10(3)11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,18)(H,19,20)/t10-,13+/m0/s1
InChIKeyKQZKWIVMXSGJLO-GXFFZTMASA-N
XLogP2.54
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-(2-phenylpropanoylamino)pentanoic acid
CID 114028706
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
2-(2-fluorophenyl)-N-[(1S)-2-hydroxy-1-phenylethyl]propanamide
CID 110001804
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2S)-2-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 40608062
(2R)-4-methyl-2-[[(2S)-4-methyl-2-(phenylcarbamoylamino)pentanoyl]amino]pentanoic acid
CID 51426594
(2R)-4-methyl-2-[[(2S)-3-phenyl-2-sulfanylpropanoyl]amino]pentanoic acid
CID 87903352
(2S)-2-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methylpentanamide
CID 81377311
2-[(2-chloro-3-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 81361459
2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butanoic acid
CID 81380426
4-(dimethylamino)-4-(2-fluorophenyl)-2-methylbutanoic acid
CID 116908280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid (CID 124682644) is (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid?
The InChIKey is KQZKWIVMXSGJLO-GXFFZTMASA-N. The full InChI is InChI=1S/C15H20FNO3/c1-9(2)8-13(15(19)20)17-14(18)10(3)11-6-4-5-7-12(11)16/h4-7,9-10,13H,8H2,1-3H3,(H,17,18)(H,19,20)/t10-,13+/m0/s1.
What are the key properties of (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid has a molecular weight of 281.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 124682644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).