(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid

C14H18FNO4 — CID 107564593

IUPAC(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-4-11(14(18)19)16-13(17)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyQWNVNIDIYLFADB-NSHDSACASA-N
MW283.30 g/mol
LogP1.75
Rot. Bonds7

About (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid

(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 107564593) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID107564593
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)O
InChIInChI=1S/C14H18FNO4/c1-3-4-11(14(18)19)16-13(17)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyQWNVNIDIYLFADB-NSHDSACASA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]propanoate
CID 47368271
(2S)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]pentanoic acid
CID 107563797
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
(2R)-2-[[2-(3,4-dichlorophenyl)acetyl]amino]pentanoic acid
CID 107562883
(2R)-2-[[2-(2,6-difluorophenyl)acetyl]amino]pentanoic acid
CID 107562809
N-[1-(4-chlorophenyl)propyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 18158666
(2S)-2-[3-(4-methoxyphenyl)propanoylamino]pentanoic acid
CID 107563743
1-(3-fluoro-4-methoxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 116586735
(2R)-4-hydroxy-2-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]butanoic acid
CID 107822772
2-(3-fluoro-4-methoxyphenyl)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9264320

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid (CID 107564593) is (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid is CCC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is QWNVNIDIYLFADB-NSHDSACASA-N. The full InChI is InChI=1S/C14H18FNO4/c1-3-4-11(14(18)19)16-13(17)8-9-5-6-12(20-2)10(15)7-9/h5-7,11H,3-4,8H2,1-2H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid?
(2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 283.30 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 107564593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).