(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate

C19H18FN2O4- — CID 2282480

IUPAC(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C19H19FN2O4/c1-12(19(25)26)21-18(24)16(11-13-7-9-15(20)10-8-13)22-17(23)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t12-,16+/m0/s1
InChIKeyQAXOJZDNUSMDAG-BLLLJJGKSA-M
MW357.36 g/mol
LogP0.42
Rot. Bonds7

About (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate

(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate (PubChem CID 2282480) has the molecular formula C19H18FN2O4- and a molecular weight of 357.36 g/mol. Its IUPAC name is (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
PubChem CID2282480
Molecular FormulaC19H18FN2O4-
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
SMILESC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-]
InChIInChI=1S/C19H19FN2O4/c1-12(19(25)26)21-18(24)16(11-13-7-9-15(20)10-8-13)22-17(23)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t12-,16+/m0/s1
InChIKeyQAXOJZDNUSMDAG-BLLLJJGKSA-M
XLogP0.42
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate 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

(2R)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate
CID 2282482
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
N-[(2R)-3-(4-fluorophenyl)-1-[[(2S)-1-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 56597883
N-[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 7478806
N-[(2S)-3-(4-fluorophenyl)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 156695006
[(2S)-2-[[(2S)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]-3-(4-fluorophenyl)propyl] acetate
CID 156695003
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
N-[1-[2-(4-fluorophenoxy)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55597798
2-[[(2S)-2-[[(2S)-2-benzamido-3-phenylpropanoyl]amino]propanoyl]amino]acetic acid
CID 71135839
N-[1-[3-[(2-benzamido-3-phenylpropanoyl)amino]butylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 123444182
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate?
The IUPAC name of (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate (CID 2282480) is (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate?
The canonical SMILES for (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate is C[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-].
What is the InChIKey of (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate?
The InChIKey is QAXOJZDNUSMDAG-BLLLJJGKSA-M. The full InChI is InChI=1S/C19H19FN2O4/c1-12(19(25)26)21-18(24)16(11-13-7-9-15(20)10-8-13)22-17(23)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,21,24)(H,22,23)(H,25,26)/p-1/t12-,16+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate?
(2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate has a molecular weight of 357.36 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-2-benzamido-3-(4-fluorophenyl)propanoyl]amino]propanoate is sourced from PubChem (CID 2282480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).