2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid

C14H19FN2O3 — CID 61202292

IUPAC2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10(2)17(9-13(18)19)14(20)16-7-6-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLORANTDVKDYNOD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.87
Rot. Bonds6

About 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid

2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid (PubChem CID 61202292) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
PubChem CID61202292
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)NCCc1cccc(F)c1
InChIInChI=1S/C14H19FN2O3/c1-10(2)17(9-13(18)19)14(20)16-7-6-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLORANTDVKDYNOD-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
1-[2-(3-fluorophenyl)ethyl]-3-(1-phenylethyl)urea
CID 108901143
1-[2-(3-fluorophenyl)ethyl]-3-(1-hydroxypropan-2-yl)urea
CID 110892882
2-[(3-methylphenyl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 61205547
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylbutanamide
CID 43566282
1-[2-(3-fluorophenyl)ethyl]-3-(2-methylsulfonylethyl)urea
CID 47481358
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
CID 60838463
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methylpentanamide
CID 43566283
1-cyclohexyl-3-[2-(3-fluorophenyl)ethyl]-1-methylurea
CID 108901132
2-[2-(3-fluorophenyl)propanoyl-propan-2-ylamino]acetic acid
CID 119198714
2-amino-N-[2-(3-fluorophenyl)ethyl]-3-methylpentanamide
CID 43566279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid (CID 61202292) is 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)NCCc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
The InChIKey is LORANTDVKDYNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(2)17(9-13(18)19)14(20)16-7-6-11-4-3-5-12(15)8-11/h3-5,8,10H,6-7,9H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid?
2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid has a molecular weight of 282.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61202292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).