2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid

C8H11F4N3O4 — CID 114169808

IUPAC2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3O4/c9-6(10)8(11,12)3-14-7(19)15(1-4(13)16)2-5(17)18/h6H,1-3H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyHUDYRNFMPIQSGS-UHFFFAOYSA-N
MW289.19 g/mol
LogP-0.53
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid (PubChem CID 114169808) has the molecular formula C8H11F4N3O4 and a molecular weight of 289.19 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
PubChem CID114169808
Molecular FormulaC8H11F4N3O4
Molecular Weight289.19 g/mol
Exact Mass289.07
IUPAC Name2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid
SMILESNC(=O)CN(CC(=O)O)C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H11F4N3O4/c9-6(10)8(11,12)3-14-7(19)15(1-4(13)16)2-5(17)18/h6H,1-3H2,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyHUDYRNFMPIQSGS-UHFFFAOYSA-N
XLogP-0.53
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 63645928
2-[(2-amino-2-oxoethyl)-(2,2-dimethylbutylcarbamoyl)amino]acetic acid
CID 107439464
2-[(2-amino-2-oxoethyl)-[(3-amino-3-oxopropyl)carbamoyl]amino]acetic acid
CID 107438020
2-[(2-amino-2-oxoethyl)-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 107439195
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
CID 106294879
2-[(2-amino-2-oxoethyl)-(pentylcarbamoyl)amino]acetic acid
CID 107437318
2-[(2-amino-2-oxoethyl)-[(3-methyl-2-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 107438737
2-[(2-amino-2-oxoethyl)-(4-methoxybutylcarbamoyl)amino]acetic acid
CID 107438506
2-[(2-amino-2-oxoethyl)-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoyl]amino]acetic acid
CID 107438288
3-(2,2,3,3-tetrafluoropropylcarbamoylamino)propanoic acid
CID 106295060
2-[carboxymethyl-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]amino]acetic acid
CID 79556078

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid (CID 114169808) is 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid is NC(=O)CN(CC(=O)O)C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid?
The InChIKey is HUDYRNFMPIQSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4N3O4/c9-6(10)8(11,12)3-14-7(19)15(1-4(13)16)2-5(17)18/h6H,1-3H2,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid has a molecular weight of 289.19 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(2,2,3,3-tetrafluoropropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 114169808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).