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

C14H18FNO3 — CID 30115441

IUPAC(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-9(2)7-12(14(18)19)16-13(17)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyGKVZQULPRUQJPE-GFCCVEGCSA-N
MW267.30 g/mol
LogP1.98
Rot. Bonds6

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

(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 30115441) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
PubChem CID30115441
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cc1ccccc1F)C(=O)O
InChIInChI=1S/C14H18FNO3/c1-9(2)7-12(14(18)19)16-13(17)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyGKVZQULPRUQJPE-GFCCVEGCSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(2-iodophenyl)acetyl]amino]-4-methylpentanoic acid
CID 120516070
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-[[2-(2-fluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 61244543
(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63303756
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
(2S)-2-[[2-[2-(difluoromethoxy)phenyl]acetyl]amino]-4-methylpentanoic acid
CID 119361873
2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 16785909
(2R)-4-methyl-2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119364391
(E)-2-[[2-(2-fluorophenyl)acetyl]amino]hex-4-enoic acid
CID 120693171
(2R)-2-[[(2S)-2-(2-fluorophenyl)propanoyl]amino]-4-methylpentanoic acid
CID 124682644
2-[[2-(2-fluorophenyl)acetyl]amino]-3-sulfopropanoic acid
CID 89123607

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid (CID 30115441) is (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is GKVZQULPRUQJPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)7-12(14(18)19)16-13(17)8-10-5-3-4-6-11(10)15/h3-6,9,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 267.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 30115441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).