(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid

C18H19FN2O3 — CID 164526841

IUPAC(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
SMILESCCc1ccccc1-c1cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c1
InChIInChI=1S/C18H19FN2O3/c1-2-11-5-3-4-6-15(11)12-7-13(9-14(19)8-12)17(22)21-10-16(20)18(23)24/h3-9,16H,2,10,20H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyMVZWFFGETHELPF-MRXNPFEDSA-N
MW330.36 g/mol
LogP2.20
Rot. Bonds6

About (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid

(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid (PubChem CID 164526841) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
PubChem CID164526841
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
SMILESCCc1ccccc1-c1cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c1
InChIInChI=1S/C18H19FN2O3/c1-2-11-5-3-4-6-15(11)12-7-13(9-14(19)8-12)17(22)21-10-16(20)18(23)24/h3-9,16H,2,10,20H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1
InChIKeyMVZWFFGETHELPF-MRXNPFEDSA-N
XLogP2.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid (CID 164526841) is (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid is CCc1ccccc1-c1cc(F)cc(C(=O)NC[C@@H](N)C(=O)O)c1.
What is the InChIKey of (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid?
The InChIKey is MVZWFFGETHELPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-11-5-3-4-6-15(11)12-7-13(9-14(19)8-12)17(22)21-10-16(20)18(23)24/h3-9,16H,2,10,20H2,1H3,(H,21,22)(H,23,24)/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid?
(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid is sourced from PubChem (CID 164526841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).