2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid

C15H16ClNO2S — CID 66925893

IUPAC2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NC(C)(C(=O)O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-10(13-8-5-9-20-13)17-15(2,14(18)19)11-6-3-4-7-12(11)16/h3-10,17H,1-2H3,(H,18,19)
InChIKeySZKXAVOGSBPFIO-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.05
Rot. Bonds5

About 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid

2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid (PubChem CID 66925893) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
PubChem CID66925893
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
SMILESCC(NC(C)(C(=O)O)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C15H16ClNO2S/c1-10(13-8-5-9-20-13)17-15(2,14(18)19)11-6-3-4-7-12(11)16/h3-10,17H,1-2H3,(H,18,19)
InChIKeySZKXAVOGSBPFIO-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
(2S)-2-(2-chlorophenyl)-2-(ethylamino)propanoic acid
CID 93280138
2-hydroxy-2-methyl-3-(1-thiophen-2-ylethylamino)propanoic acid
CID 104643956
2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
N-(2,6-dichlorophenyl)-2-[[(1R)-1-thiophen-2-ylethyl]amino]acetamide
CID 81407882
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
2-(tert-butylamino)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 81408985
2-tert-butyl-N-(1-thiophen-2-ylethyl)aniline
CID 43682936
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
(1R)-1-(2-chlorophenyl)-N-(1-thiophen-2-ylethyl)ethanamine
CID 81377853
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid?
The IUPAC name of 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid (CID 66925893) is 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid?
The canonical SMILES for 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid is CC(NC(C)(C(=O)O)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid?
The InChIKey is SZKXAVOGSBPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-10(13-8-5-9-20-13)17-15(2,14(18)19)11-6-3-4-7-12(11)16/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid?
2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid has a molecular weight of 309.82 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 66925893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).