2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid

C11H11F3N2O3 — CID 62809193

IUPAC2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3N2O3/c1-2-16(5-10(17)18)11(19)15-9-4-7(13)6(12)3-8(9)14/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyAGUGENSOBLZOJL-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.04
Rot. Bonds4

About 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid

2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid (PubChem CID 62809193) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
PubChem CID62809193
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC Name2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C11H11F3N2O3/c1-2-16(5-10(17)18)11(19)15-9-4-7(13)6(12)3-8(9)14/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18)
InChIKeyAGUGENSOBLZOJL-UHFFFAOYSA-N
XLogP2.04
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-(2,4,5-trifluorophenyl)urea
CID 115613885
2-[ethyl-[(4-fluoro-3-methylphenyl)carbamoyl]amino]acetic acid
CID 62813606
2-[cyclopropylmethyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586717
2-[(3,5-dichloro-4-fluorophenyl)carbamoyl-ethylamino]acetic acid
CID 107576369
2-[carboxymethyl-[(4-chloro-2-fluorophenyl)carbamoyl]amino]acetic acid
CID 63645802
2-[(5-bromo-2-methylphenyl)carbamoyl-ethylamino]acetic acid
CID 61205603
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
2-[methyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]butanoic acid
CID 62809713
2-[ethyl-[(4-methoxy-2-methylphenyl)carbamoyl]amino]acetic acid
CID 55129490
2-[cyclopropyl-[(2,5-difluoro-4-methylphenyl)carbamoyl]amino]acetic acid
CID 103586733
2-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]acetic acid
CID 61192108
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid (CID 62809193) is 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid is CCN(CC(=O)O)C(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid?
The InChIKey is AGUGENSOBLZOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-2-16(5-10(17)18)11(19)15-9-4-7(13)6(12)3-8(9)14/h3-4H,2,5H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid?
2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid has a molecular weight of 276.21 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2,4,5-trifluorophenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 62809193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).