2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid

C14H19NO4S — CID 124682778

IUPAC2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)c1ccsc1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C14H19NO4S/c1-9(2)11-3-6-20-13(11)14(18)15-4-5-19-10(8-15)7-12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeySMLJOLUKGCWYPR-JTQLQIEISA-N
MW297.38 g/mol
LogP2.19
Rot. Bonds4

About 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid

2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid (PubChem CID 124682778) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
PubChem CID124682778
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
SMILESCC(C)c1ccsc1C(=O)N1CCO[C@@H](CC(=O)O)C1
InChIInChI=1S/C14H19NO4S/c1-9(2)11-3-6-20-13(11)14(18)15-4-5-19-10(8-15)7-12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeySMLJOLUKGCWYPR-JTQLQIEISA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(thiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421346
2-[(2S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124697788
2-[4-(1-thiophen-2-ylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66436008
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
2-[4-(5-ethylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 66421949
2-[4-(3,4-dimethylbenzoyl)morpholin-2-yl]acetic acid
CID 66433602
2-[(2S)-4-[(1S,2R)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 124698180
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119942694
2-[4-[2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 119248241
2-[(2R)-4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzoyl]morpholin-2-yl]acetic acid
CID 125151527
2-[4-[3-(difluoromethoxy)-5-methylthiophene-2-carbonyl]morpholin-2-yl]acetic acid
CID 119248261

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid (CID 124682778) is 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid is CC(C)c1ccsc1C(=O)N1CCO[C@@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
The InChIKey is SMLJOLUKGCWYPR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9(2)11-3-6-20-13(11)14(18)15-4-5-19-10(8-15)7-12(16)17/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid?
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 124682778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).