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

C15H16ClNO2S — CID 66925891

IUPAC(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
SMILESC[C@@](NCCc1cccs1)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyFQGRUDPKXRQARQ-HNNXBMFYSA-N
MW309.82 g/mol
LogP3.53
Rot. Bonds6

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

(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid (PubChem CID 66925891) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
PubChem CID66925891
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
SMILESC[C@@](NCCc1cccs1)(C(=O)O)c1ccccc1Cl
InChIInChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyFQGRUDPKXRQARQ-HNNXBMFYSA-N
XLogP3.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoate
CID 53437074
2-(2-chlorophenyl)-2-(1-thiophen-2-ylethylamino)propanoic acid
CID 66925893
2-methyl-4-phenyl-N-(2-thiophen-2-ylethyl)butan-2-amine
CID 115690821
2-chloro-N-(2-thiophen-2-ylethyl)aniline
CID 63773970
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
CID 174603780
2,2-dimethyl-5-thiophen-2-ylpentanoic acid
CID 10846225
2-(3-chloro-2-methylanilino)-N-(2-thiophen-2-ylethyl)acetamide
CID 31666457
[(2-chlorophenyl)-(2-thiophen-2-ylethylamino)methyl]sulfanylformic acid
CID 163919902
2-methyl-2-(thiophen-2-ylmethylamino)propanoic acid
CID 61001579
2-methyl-2-(4-thiophen-2-ylbutanoylamino)propanoic acid
CID 61261493
methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
(2-thiophen-2-ylethylamino) 2-(2-chlorophenyl)propanoate
CID 21187056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid?
The IUPAC name of (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid (CID 66925891) is (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid is C[C@@](NCCc1cccs1)(C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid?
The InChIKey is FQGRUDPKXRQARQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-15(14(18)19,12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid?
(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid has a molecular weight of 309.82 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid is sourced from PubChem (CID 66925891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).