(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid

C10H10FNO4 — CID 103338112

IUPAC(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
SMILESC[C@@H](Oc1ccc(C(N)=O)c(F)c1)C(=O)O
InChIInChI=1S/C10H10FNO4/c1-5(10(14)15)16-6-2-3-7(9(12)13)8(11)4-6/h2-5H,1H3,(H2,12,13)(H,14,15)/t5-/m1/s1
InChIKeyRNBGZIHSALVFLV-RXMQYKEDSA-N
MW227.19 g/mol
LogP0.78
Rot. Bonds4

About (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid

(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid (PubChem CID 103338112) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
PubChem CID103338112
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid
SMILESC[C@@H](Oc1ccc(C(N)=O)c(F)c1)C(=O)O
InChIInChI=1S/C10H10FNO4/c1-5(10(14)15)16-6-2-3-7(9(12)13)8(11)4-6/h2-5H,1H3,(H2,12,13)(H,14,15)/t5-/m1/s1
InChIKeyRNBGZIHSALVFLV-RXMQYKEDSA-N
XLogP0.78
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenoxy)propanoic acid
CID 3872140
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
2-(4-cyano-3-fluorophenoxy)propanoic acid
CID 22610140
(2S)-2-[2-(4-carbamoyl-3-fluorophenyl)-4-(trifluoromethyl)phenoxy]propanoic acid
CID 70658283
4-(3-amino-2-methyl-3-oxopropoxy)-2-fluorobenzoic acid
CID 107675315
1-(2,4-difluorophenyl)-2-(4-fluorophenoxy)propan-1-one
CID 43232352
2-fluoro-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoic acid
CID 107675551
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
CID 107714446
2-fluoro-4-[1-(3-methylbutylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 107675560
2-(4-propan-2-ylphenoxy)propanoic acid
CID 3252680

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid?
The IUPAC name of (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid (CID 103338112) is (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid.
What is the SMILES notation for (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid?
The canonical SMILES for (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid is C[C@@H](Oc1ccc(C(N)=O)c(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid?
The InChIKey is RNBGZIHSALVFLV-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-5(10(14)15)16-6-2-3-7(9(12)13)8(11)4-6/h2-5H,1H3,(H2,12,13)(H,14,15)/t5-/m1/s1.
What are the key properties of (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid?
(2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid has a molecular weight of 227.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-carbamoyl-3-fluorophenoxy)propanoic acid is sourced from PubChem (CID 103338112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).