2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid

C14H19NO4S — CID 124682141

IUPAC2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
SMILESCC(C)(C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccs1
InChIInChI=1S/C14H19NO4S/c1-14(2,11-4-3-7-20-11)13(18)15-5-6-19-10(9-15)8-12(16)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeySSSNVFDSTPQAGA-JTQLQIEISA-N
MW297.38 g/mol
LogP1.73
Rot. Bonds4

About 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid (PubChem CID 124682141) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
PubChem CID124682141
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
SMILESCC(C)(C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccs1
InChIInChI=1S/C14H19NO4S/c1-14(2,11-4-3-7-20-11)13(18)15-5-6-19-10(9-15)8-12(16)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeySSSNVFDSTPQAGA-JTQLQIEISA-N
XLogP1.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid (CID 124682141) is 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid is CC(C)(C(=O)N1CCO[C@@H](CC(=O)O)C1)c1cccs1.
What is the InChIKey of 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is SSSNVFDSTPQAGA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO4S/c1-14(2,11-4-3-7-20-11)13(18)15-5-6-19-10(9-15)8-12(16)17/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(2-methyl-2-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124682141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).