2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid

C11H13FN2O3 — CID 43465750

IUPAC2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCc1ccccc1F
InChIInChI=1S/C11H13FN2O3/c12-9-4-2-1-3-8(9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyYRTOWHJSBMVLAR-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.12
Rot. Bonds6

About 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid

2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 43465750) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
PubChem CID43465750
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)NCc1ccccc1F
InChIInChI=1S/C11H13FN2O3/c12-9-4-2-1-3-8(9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17)
InChIKeyYRTOWHJSBMVLAR-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
2-acetamido-N-[(2-fluorophenyl)methyl]acetamide
CID 110686999
N-[(2-fluorophenyl)methyl]-2-[(4-methylphenyl)methylamino]acetamide
CID 108997023
2-[(2-fluorophenyl)methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997159
N-[(2-fluorophenyl)methyl]-2-(1-phenylethylamino)acetamide
CID 78695034
N-[(2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 115139087
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-(2,6-dichloroanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 108997690
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79789880

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid (CID 43465750) is 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid is O=C(O)CNCC(=O)NCc1ccccc1F.
What is the InChIKey of 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is YRTOWHJSBMVLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-9-4-2-1-3-8(9)5-14-10(15)6-13-7-11(16)17/h1-4,13H,5-7H2,(H,14,15)(H,16,17).
What are the key properties of 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid?
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 240.23 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).