(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride

C14H15Cl2NO2S — CID 174603780

IUPAC(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)[C@H](NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S.ClH/c15-12-6-2-1-5-11(12)13(14(17)18)16-8-7-10-4-3-9-19-10;/h1-6,9,13,16H,7-8H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyMHTJEWGANHDNDZ-BTQNPOSSSA-N
MW332.25 g/mol
LogP3.78
Rot. Bonds6

About (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride

(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride (PubChem CID 174603780) has the molecular formula C14H15Cl2NO2S and a molecular weight of 332.25 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
PubChem CID174603780
Molecular FormulaC14H15Cl2NO2S
Molecular Weight332.25 g/mol
Exact Mass331.02
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride
SMILESCl.O=C(O)[C@H](NCCc1cccs1)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S.ClH/c15-12-6-2-1-5-11(12)13(14(17)18)16-8-7-10-4-3-9-19-10;/h1-6,9,13,16H,7-8H2,(H,17,18);1H/t13-;/m1./s1
InChIKeyMHTJEWGANHDNDZ-BTQNPOSSSA-N
XLogP3.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.25
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 24938549
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
[(2-chlorophenyl)-(2-thiophen-2-ylethylamino)methyl]sulfanylformic acid
CID 163919902
(2-thiophen-2-ylethylamino) 2-(2-chlorophenyl)propanoate
CID 21187056
1-(2-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 63775444
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
(2R)-2-(2-chlorophenyl)-2-(thiophen-2-ylsulfonylamino)acetic acid
CID 107314977
(2R)-2-phenyl-2-(2-thiophen-2-ylethylcarbamoylamino)acetic acid
CID 61189678
2-(4-chloro-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 114843727
2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
(2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 66925891
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride (CID 174603780) is (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride is Cl.O=C(O)[C@H](NCCc1cccs1)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
The InChIKey is MHTJEWGANHDNDZ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H14ClNO2S.ClH/c15-12-6-2-1-5-11(12)13(14(17)18)16-8-7-10-4-3-9-19-10;/h1-6,9,13,16H,7-8H2,(H,17,18);1H/t13-;/m1./s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride?
(2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride has a molecular weight of 332.25 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetic acid;hydrochloride is sourced from PubChem (CID 174603780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).