(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol

C16H21NO4S — CID 11515325

IUPAC(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCNCC[C@H](O)c1cccs1.O=C(O)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H13NOS.C8H8O3/c1-9-5-4-7(10)8-3-2-6-11-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-3,6-7,9-10H,4-5H2,1H3;1-5,7,9H,(H,10,11)/t2*7-/m00/s1
InChIKeyJDHCRACXYLZGJN-VGMFFHCQSA-N
MW323.41 g/mol
LogP2.20
Rot. Bonds6

About (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol

(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol (PubChem CID 11515325) has the molecular formula C16H21NO4S and a molecular weight of 323.41 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
PubChem CID11515325
Molecular FormulaC16H21NO4S
Molecular Weight323.41 g/mol
Exact Mass323.12
IUPAC Name(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol
SMILESCNCC[C@H](O)c1cccs1.O=C(O)[C@@H](O)c1ccccc1
InChIInChI=1S/C8H13NOS.C8H8O3/c1-9-5-4-7(10)8-3-2-6-11-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-3,6-7,9-10H,4-5H2,1H3;1-5,7,9H,(H,10,11)/t2*7-/m00/s1
InChIKeyJDHCRACXYLZGJN-VGMFFHCQSA-N
XLogP2.20
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-phenylacetic acid;3-(methylamino)-1-phenylpropan-1-ol
CID 67603481
2-hydroxy-2-phenylacetic acid;N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
CID 24816199
(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol;3-(methylamino)-1-thiophen-2-ylpropan-1-one;molecular hydrogen
CID 158452922
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283749
2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
CID 126740844
acetic acid;2-hydroxy-2-phenylacetic acid
CID 67499056
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol (CID 11515325) is (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol is CNCC[C@H](O)c1cccs1.O=C(O)[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
The InChIKey is JDHCRACXYLZGJN-VGMFFHCQSA-N. The full InChI is InChI=1S/C8H13NOS.C8H8O3/c1-9-5-4-7(10)8-3-2-6-11-8;9-7(8(10)11)6-4-2-1-3-5-6/h2-3,6-7,9-10H,4-5H2,1H3;1-5,7,9H,(H,10,11)/t2*7-/m00/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol?
(2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol has a molecular weight of 323.41 g/mol, XLogP of 2.20, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylacetic acid;(1S)-3-(methylamino)-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 11515325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).