2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid

C10H12BrNO3S — CID 54595982

IUPAC2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cc(Br)cs1)N1CCOCC1
InChIInChI=1S/C10H12BrNO3S/c11-7-5-8(16-6-7)9(10(13)14)12-1-3-15-4-2-12/h5-6,9H,1-4H2,(H,13,14)
InChIKeyWPGRXFUJUCBGSX-UHFFFAOYSA-N
MW306.18 g/mol
LogP1.97
Rot. Bonds3

About 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid

2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid (PubChem CID 54595982) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
PubChem CID54595982
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid
SMILESO=C(O)C(c1cc(Br)cs1)N1CCOCC1
InChIInChI=1S/C10H12BrNO3S/c11-7-5-8(16-6-7)9(10(13)14)12-1-3-15-4-2-12/h5-6,9H,1-4H2,(H,13,14)
InChIKeyWPGRXFUJUCBGSX-UHFFFAOYSA-N
XLogP1.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-bromothiophen-2-yl)-N-(cyanomethyl)-2-morpholin-4-ylacetamide
CID 125419036
(2R)-2-(4-bromophenyl)-2-morpholin-4-ylacetic acid
CID 93297485
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
methyl 2-(4-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetate
CID 116860487
2-(4-amino-3,5-dimethylphenyl)-2-morpholin-4-ylacetic acid
CID 18957404
4-(4-bromophenyl)-2-morpholin-4-ylbutanoic acid
CID 84608477
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
2-(5-bromo-2,3-dimethylimidazol-4-yl)-2-morpholin-4-ylacetic acid
CID 84744613
2-(4-bromophenyl)-2-piperazin-1-ylacetic acid
CID 11145832
2-(4-bromothiophen-2-yl)-2-(dimethylamino)acetic acid
CID 54595909
3-(4,5-dibromothiophen-2-yl)-3-morpholin-4-ylpropanoic acid
CID 102844841
2-amino-2-(4-bromothiophen-2-yl)-1-pyrrolidin-1-ylethanone
CID 116851326

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid?
The IUPAC name of 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid (CID 54595982) is 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid is O=C(O)C(c1cc(Br)cs1)N1CCOCC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid?
The InChIKey is WPGRXFUJUCBGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c11-7-5-8(16-6-7)9(10(13)14)12-1-3-15-4-2-12/h5-6,9H,1-4H2,(H,13,14).
What are the key properties of 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid?
2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid has a molecular weight of 306.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-2-morpholin-4-ylacetic acid is sourced from PubChem (CID 54595982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).