(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid

C16H14FNO3 — CID 15679298

IUPAC(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H14FNO3/c17-13-8-4-5-11(9-13)10-14(16(20)21)18-15(19)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyPBKKFAXUWHUKAJ-CQSZACIVSA-N
MW287.29 g/mol
LogP2.25
Rot. Bonds5

About (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid

(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid (PubChem CID 15679298) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
PubChem CID15679298
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1
InChIInChI=1S/C16H14FNO3/c17-13-8-4-5-11(9-13)10-14(16(20)21)18-15(19)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m1/s1
InChIKeyPBKKFAXUWHUKAJ-CQSZACIVSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
[1-benzamido-2-(3-fluorophenyl)ethyl]phosphonic acid
CID 100983027
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
(2S)-2-(fluoroamino)-3-(3-fluorophenyl)propanoic acid
CID 172693012
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
(2S)-3-phenyl-2-[[3-(2-phenylethyl)benzoyl]amino]propanoic acid
CID 101236602
(2S)-2-benzamido-3-naphthalen-2-ylpropanoic acid
CID 18652421
2-benzamido-3-phenylpropanoic acid;2-fluoroacetaldehyde
CID 131965188
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid (CID 15679298) is (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid is O=C(N[C@H](Cc1cccc(F)c1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid?
The InChIKey is PBKKFAXUWHUKAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-8-4-5-11(9-13)10-14(16(20)21)18-15(19)12-6-2-1-3-7-12/h1-9,14H,10H2,(H,18,19)(H,20,21)/t14-/m1/s1.
What are the key properties of (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid?
(2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzamido-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 15679298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).