(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid

C9H8Cl3NO4S — CID 162679585

IUPAC(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccsc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-1-2-18-3-5/h1-3,6H,4H2,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyHGMOZGQUDMBMET-ZCFIWIBFSA-N
MW332.59 g/mol
LogP2.97
Rot. Bonds4

About (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid

(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid (PubChem CID 162679585) has the molecular formula C9H8Cl3NO4S and a molecular weight of 332.59 g/mol. Its IUPAC name is (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid
PubChem CID162679585
Molecular FormulaC9H8Cl3NO4S
Molecular Weight332.59 g/mol
Exact Mass330.92
IUPAC Name(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccsc1)OCC(Cl)(Cl)Cl
InChIInChI=1S/C9H8Cl3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-1-2-18-3-5/h1-3,6H,4H2,(H,13,16)(H,14,15)/t6-/m1/s1
InChIKeyHGMOZGQUDMBMET-ZCFIWIBFSA-N
XLogP2.97
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.59
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid?
The IUPAC name of (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid (CID 162679585) is (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid.
What is the SMILES notation for (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid?
The canonical SMILES for (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid is O=C(N[C@@H](C(=O)O)c1ccsc1)OCC(Cl)(Cl)Cl.
What is the InChIKey of (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid?
The InChIKey is HGMOZGQUDMBMET-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8Cl3NO4S/c10-9(11,12)4-17-8(16)13-6(7(14)15)5-1-2-18-3-5/h1-3,6H,4H2,(H,13,16)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid?
(2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid has a molecular weight of 332.59 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-thiophen-3-yl-2-(2,2,2-trichloroethoxycarbonylamino)acetic acid is sourced from PubChem (CID 162679585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).