2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid

C14H20N2O4S — CID 66434515

IUPAC2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(CNC(=O)N2CCOC(CC(=O)O)C2)sc1C
InChIInChI=1S/C14H20N2O4S/c1-9-5-12(21-10(9)2)7-15-14(19)16-3-4-20-11(8-16)6-13(17)18/h5,11H,3-4,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWVCMUXWLTMSJBY-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.75
Rot. Bonds4

About 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid

2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66434515) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
PubChem CID66434515
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
SMILESCc1cc(CNC(=O)N2CCOC(CC(=O)O)C2)sc1C
InChIInChI=1S/C14H20N2O4S/c1-9-5-12(21-10(9)2)7-15-14(19)16-3-4-20-11(8-16)6-13(17)18/h5,11H,3-4,6-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWVCMUXWLTMSJBY-UHFFFAOYSA-N
XLogP1.75
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 65245687
2-[4-[(1-methylpyrazol-3-yl)methylcarbamoyl]morpholin-2-yl]acetic acid
CID 82874321
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 65245197
2-[4-(2-sulfamoylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434839
2-[4-[[2-oxo-2-(propylamino)ethyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433095
2-[4-(2,5-dimethyl-1,3-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 120527656
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435659
2-[4-[3-(dimethylamino)propylcarbamoyl]morpholin-2-yl]acetic acid
CID 66435216
2-[4-[(3-fluoro-5-methylphenyl)carbamoyl]morpholin-2-yl]acetic acid
CID 79046066
2-[4-(2-pyrrolidin-1-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436055
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid (CID 66434515) is 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid is Cc1cc(CNC(=O)N2CCOC(CC(=O)O)C2)sc1C.
What is the InChIKey of 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is WVCMUXWLTMSJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-9-5-12(21-10(9)2)7-15-14(19)16-3-4-20-11(8-16)6-13(17)18/h5,11H,3-4,6-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid?
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 312.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).