(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid

C14H20FNO3 — CID 124927388

IUPAC(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid
SMILESCCCN[C@H](CCc1cccc(F)c1OC)C(=O)O
InChIInChI=1S/C14H20FNO3/c1-3-9-16-12(14(17)18)8-7-10-5-4-6-11(15)13(10)19-2/h4-6,12,16H,3,7-9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyPZHTWMOBSVNVHI-GFCCVEGCSA-N
MW269.32 g/mol
LogP2.22
Rot. Bonds8

About (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid

(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid (PubChem CID 124927388) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid
PubChem CID124927388
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid
SMILESCCCN[C@H](CCc1cccc(F)c1OC)C(=O)O
InChIInChI=1S/C14H20FNO3/c1-3-9-16-12(14(17)18)8-7-10-5-4-6-11(15)13(10)19-2/h4-6,12,16H,3,7-9H2,1-2H3,(H,17,18)/t12-/m1/s1
InChIKeyPZHTWMOBSVNVHI-GFCCVEGCSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,6-difluorophenoxy)-2-(propylamino)butanoic acid
CID 81269196
2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
CID 69141762
methyl 2-amino-3-(3-fluoro-2-methoxyphenyl)propanoate
CID 167713395
6-(2,3-dimethoxyphenyl)-4-N-propylhex-2-ene-1,4-diamine;oxalic acid
CID 67642605
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
4-(3-ethoxyphenoxy)-2-(propylamino)butanoic acid
CID 63035319
methyl 3-(3-fluoro-2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 156599503
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916
4-(2,4-difluorophenyl)sulfanyl-2-(propylamino)butanoic acid
CID 63033743
(2S)-4-phenyl-2-(2-phenylethylamino)butanoic acid
CID 141046981
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid?
The IUPAC name of (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid (CID 124927388) is (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid.
What is the SMILES notation for (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid?
The canonical SMILES for (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid is CCCN[C@H](CCc1cccc(F)c1OC)C(=O)O.
What is the InChIKey of (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid?
The InChIKey is PZHTWMOBSVNVHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-3-9-16-12(14(17)18)8-7-10-5-4-6-11(15)13(10)19-2/h4-6,12,16H,3,7-9H2,1-2H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid?
(2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid has a molecular weight of 269.32 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-fluoro-2-methoxyphenyl)-2-(propylamino)butanoic acid is sourced from PubChem (CID 124927388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).