4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid

C14H18N2O5S — CID 119240043

IUPAC4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
SMILESO=C(NCCCC(=O)N1CCOC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C14H18N2O5S/c17-12(16-5-6-21-11(8-16)14(19)20)2-1-4-15-13(18)10-3-7-22-9-10/h3,7,9,11H,1-2,4-6,8H2,(H,15,18)(H,19,20)
InChIKeySBNFKQQEHLTNSE-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.57
Rot. Bonds6

About 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid

4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid (PubChem CID 119240043) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
PubChem CID119240043
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid
SMILESO=C(NCCCC(=O)N1CCOC(C(=O)O)C1)c1ccsc1
InChIInChI=1S/C14H18N2O5S/c17-12(16-5-6-21-11(8-16)14(19)20)2-1-4-15-13(18)10-3-7-22-9-10/h3,7,9,11H,1-2,4-6,8H2,(H,15,18)(H,19,20)
InChIKeySBNFKQQEHLTNSE-UHFFFAOYSA-N
XLogP0.57
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
N-[4-(2-methylmorpholin-4-yl)-4-oxobutyl]benzamide
CID 51296252
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[4-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 46413247
(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
CID 129467091
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623

Frequently Asked Questions

What is the IUPAC name of 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid (CID 119240043) is 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid is O=C(NCCCC(=O)N1CCOC(C(=O)O)C1)c1ccsc1.
What is the InChIKey of 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid?
The InChIKey is SBNFKQQEHLTNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c17-12(16-5-6-21-11(8-16)14(19)20)2-1-4-15-13(18)10-3-7-22-9-10/h3,7,9,11H,1-2,4-6,8H2,(H,15,18)(H,19,20).
What are the key properties of 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid?
4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid has a molecular weight of 326.37 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(thiophene-3-carbonylamino)butanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).