2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid

C20H21FN2O4 — CID 119347441

IUPAC2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O4/c21-17-8-4-7-16(11-17)12-18(24)22-13-19(25)23(14-20(26)27)10-9-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2,(H,22,24)(H,26,27)
InChIKeyBEZZILZBEZQQCC-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.64
Rot. Bonds9

About 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid

2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid (PubChem CID 119347441) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
PubChem CID119347441
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid
SMILESO=C(O)CN(CCc1ccccc1)C(=O)CNC(=O)Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O4/c21-17-8-4-7-16(11-17)12-18(24)22-13-19(25)23(14-20(26)27)10-9-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2,(H,22,24)(H,26,27)
InChIKeyBEZZILZBEZQQCC-UHFFFAOYSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-methylpropyl)amino]propanoic acid
CID 119190073
2-[[2-[(3-fluorobenzoyl)amino]acetyl]-propylamino]acetic acid
CID 61011831
2-[[2-[(3-fluorophenyl)methyl]pyridine-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110165390
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
2-[[2-[2-phenylethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetic acid
CID 53497079
N-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 87002258
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 120886692
2-[(3-chlorobenzoyl)-(2-phenylethyl)amino]acetic acid
CID 99819195
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991593
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642
2-[benzyl-(3-fluorobenzoyl)amino]acetic acid
CID 84583368

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid (CID 119347441) is 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid is O=C(O)CN(CCc1ccccc1)C(=O)CNC(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid?
The InChIKey is BEZZILZBEZQQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c21-17-8-4-7-16(11-17)12-18(24)22-13-19(25)23(14-20(26)27)10-9-15-5-2-1-3-6-15/h1-8,11H,9-10,12-14H2,(H,22,24)(H,26,27).
What are the key properties of 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid?
2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid has a molecular weight of 372.40 g/mol, XLogP of 1.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]-(2-phenylethyl)amino]acetic acid is sourced from PubChem (CID 119347441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).