(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid

C12H12F4N2O3 — CID 106295096

IUPAC(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid
SMILESO=C(NCC(F)(F)C(F)F)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H12F4N2O3/c13-10(14)12(15,16)6-17-11(21)18-8(9(19)20)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,19,20)(H2,17,18,21)/t8-/m1/s1
InChIKeySRNBLZRHDDRVBF-MRVPVSSYSA-N
MW308.23 g/mol
LogP2.01
Rot. Bonds6

About (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid

(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid (PubChem CID 106295096) has the molecular formula C12H12F4N2O3 and a molecular weight of 308.23 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid
PubChem CID106295096
Molecular FormulaC12H12F4N2O3
Molecular Weight308.23 g/mol
Exact Mass308.08
IUPAC Name(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid
SMILESO=C(NCC(F)(F)C(F)F)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C12H12F4N2O3/c13-10(14)12(15,16)6-17-11(21)18-8(9(19)20)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,19,20)(H2,17,18,21)/t8-/m1/s1
InChIKeySRNBLZRHDDRVBF-MRVPVSSYSA-N
XLogP2.01
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-fluoropropylcarbamoylamino)-2-phenylacetic acid
CID 113364436
(2S)-2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-phenylacetic acid
CID 104898888
(2S)-2-(3,3-dimethylbutylcarbamoylamino)-2-phenylacetic acid
CID 103995825
(2S)-2-(3-methylbut-2-enylcarbamoylamino)-2-phenylacetic acid
CID 106191180
(2S)-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]-2-phenylacetic acid
CID 103999864
(2R)-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61203429
(2S)-2-[2-(dimethylamino)ethylcarbamoylamino]-2-phenylacetic acid
CID 104898882
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-2-phenylacetic acid
CID 61198379
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
(2S)-2-(2-methylbutylcarbamoylamino)-2-phenylacetic acid
CID 104899033
(2R)-2-(but-3-enylcarbamoylamino)-2-phenylacetic acid
CID 113465864
(2R)-2-(2-chlorophenyl)-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
CID 107314887

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid (CID 106295096) is (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid is O=C(NCC(F)(F)C(F)F)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid?
The InChIKey is SRNBLZRHDDRVBF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12F4N2O3/c13-10(14)12(15,16)6-17-11(21)18-8(9(19)20)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,19,20)(H2,17,18,21)/t8-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid?
(2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid has a molecular weight of 308.23 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(2,2,3,3-tetrafluoropropylcarbamoylamino)acetic acid is sourced from PubChem (CID 106295096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).