2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid

C10H10BrNO3S — CID 64603552

IUPAC2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C10H10BrNO3S/c11-8-2-7(5-16-8)10(15)12-3-6(4-12)1-9(13)14/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyISOOZADNNPDSJC-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.06
Rot. Bonds3

About 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid

2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid (PubChem CID 64603552) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
PubChem CID64603552
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C10H10BrNO3S/c11-8-2-7(5-16-8)10(15)12-3-6(4-12)1-9(13)14/h2,5-6H,1,3-4H2,(H,13,14)
InChIKeyISOOZADNNPDSJC-UHFFFAOYSA-N
XLogP2.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(5-bromothiophen-3-yl)methanone;hydrochloride
CID 119483030
3-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62217831
2-[1-(3-bromo-4-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 107997929
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
2-[1-(5-iodothiophene-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79684794
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311
2-[1-(4-hydroxybenzoyl)azetidin-3-yl]acetic acid
CID 64603735
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969
2-[1-(3-chlorobenzoyl)azetidin-3-yl]acetic acid
CID 64603115
2-[1-(3-iodobenzoyl)azetidin-3-yl]acetic acid
CID 64605804

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid (CID 64603552) is 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid is O=C(O)CC1CN(C(=O)c2csc(Br)c2)C1.
What is the InChIKey of 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid?
The InChIKey is ISOOZADNNPDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c11-8-2-7(5-16-8)10(15)12-3-6(4-12)1-9(13)14/h2,5-6H,1,3-4H2,(H,13,14).
What are the key properties of 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid?
2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid has a molecular weight of 304.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromothiophene-3-carbonyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).