2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid

C13H18N2O4S — CID 66436008

IUPAC2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-9(11-3-2-6-20-11)14-13(18)15-4-5-19-10(8-15)7-12(16)17/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyAFHFYOWRXDHQQV-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.69
Rot. Bonds4

About 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66436008) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66436008
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
SMILESCC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccs1
InChIInChI=1S/C13H18N2O4S/c1-9(11-3-2-6-20-11)14-13(18)15-4-5-19-10(8-15)7-12(16)17/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyAFHFYOWRXDHQQV-UHFFFAOYSA-N
XLogP1.69
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-pyridin-3-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434836
2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-(3-thiophen-2-ylpropanoyl)morpholin-2-yl]acetic acid
CID 66421747
2-[4-(3-thiophen-2-ylprop-2-enoyl)morpholin-2-yl]acetic acid
CID 77133331
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778
2-[4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433511
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-(pent-1-yn-3-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 106232126
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid (CID 66436008) is 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid is CC(NC(=O)N1CCOC(CC(=O)O)C1)c1cccs1.
What is the InChIKey of 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is AFHFYOWRXDHQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9(11-3-2-6-20-11)14-13(18)15-4-5-19-10(8-15)7-12(16)17/h2-3,6,9-10H,4-5,7-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 298.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66436008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).