5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid

C10H12N2O4S — CID 83095887

IUPAC5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
SMILESNC(=O)C1COCCN1c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S/c11-9(13)6-5-16-4-3-12(6)8-2-1-7(17-8)10(14)15/h1-2,6H,3-5H2,(H2,11,13)(H,14,15)
InChIKeySMEAFKXFDSMJML-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.14
Rot. Bonds3

About 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid

5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid (PubChem CID 83095887) has the molecular formula C10H12N2O4S and a molecular weight of 256.28 g/mol. Its IUPAC name is 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
PubChem CID83095887
Molecular FormulaC10H12N2O4S
Molecular Weight256.28 g/mol
Exact Mass256.05
IUPAC Name5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid
SMILESNC(=O)C1COCCN1c1ccc(C(=O)O)s1
InChIInChI=1S/C10H12N2O4S/c11-9(13)6-5-16-4-3-12(6)8-2-1-7(17-8)10(14)15/h1-2,6H,3-5H2,(H2,11,13)(H,14,15)
InChIKeySMEAFKXFDSMJML-UHFFFAOYSA-N
XLogP0.14
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(ethylcarbamoyl)morpholin-4-yl]thiophene-2-carboxylic acid
CID 83100843
4-(4,6-dimethylpyrimidin-2-yl)morpholine-3-carboxamide
CID 75483897
4-(2-amino-4-bromophenyl)morpholine-3-carboxamide
CID 83094303
4-(3-carbamoylmorpholin-4-yl)-2-methylbenzoic acid
CID 83096397
2-(3-carbamoylmorpholin-4-yl)-3-fluorobenzoic acid
CID 83095800
4-(3-amino-4-methylphenyl)morpholine-3-carboxamide
CID 83101423
4-(3-bromophenyl)morpholine-3-carboxamide
CID 130363342
4-(6-amino-2,3-difluorophenyl)morpholine-3-carboxamide
CID 83101424
4-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]morpholine-3-carboxamide
CID 83095812
4-[(3-carbamoylmorpholin-4-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 83095890
4-[4-(hydroxymethyl)-3-methylphenyl]morpholine-3-carboxamide
CID 83096488
methyl 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654

Frequently Asked Questions

What is the IUPAC name of 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid (CID 83095887) is 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid is NC(=O)C1COCCN1c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid?
The InChIKey is SMEAFKXFDSMJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4S/c11-9(13)6-5-16-4-3-12(6)8-2-1-7(17-8)10(14)15/h1-2,6H,3-5H2,(H2,11,13)(H,14,15).
What are the key properties of 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid?
5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid has a molecular weight of 256.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbamoylmorpholin-4-yl)thiophene-2-carboxylic acid is sourced from PubChem (CID 83095887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).