2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid

C11H12BrNO4S — CID 120521147

IUPAC2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCOc1cc(C(=O)NC(C(=O)O)C2CC2)sc1Br
InChIInChI=1S/C11H12BrNO4S/c1-17-6-4-7(18-9(6)12)10(14)13-8(11(15)16)5-2-3-5/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCFDOMJAJCCDYAI-UHFFFAOYSA-N
MW334.19 g/mol
LogP2.11
Rot. Bonds5

About 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid

2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid (PubChem CID 120521147) has the molecular formula C11H12BrNO4S and a molecular weight of 334.19 g/mol. Its IUPAC name is 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
PubChem CID120521147
Molecular FormulaC11H12BrNO4S
Molecular Weight334.19 g/mol
Exact Mass332.97
IUPAC Name2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid
SMILESCOc1cc(C(=O)NC(C(=O)O)C2CC2)sc1Br
InChIInChI=1S/C11H12BrNO4S/c1-17-6-4-7(18-9(6)12)10(14)13-8(11(15)16)5-2-3-5/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16)
InChIKeyCFDOMJAJCCDYAI-UHFFFAOYSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(2-methoxy-5-methylbenzoyl)amino]acetic acid
CID 62697272
2-[(3-bromo-4-ethoxy-5-methoxybenzoyl)amino]-2-cyclopropylacetic acid
CID 119213204
1-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515069
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 120518486
4-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 120518926
2-cyclopropyl-2-[(3-ethoxy-4-methoxybenzoyl)amino]acetic acid
CID 62696695
2-cyclopropyl-2-[(3,5-dibromobenzoyl)amino]acetic acid
CID 107971371
2-cyclopropyl-2-(2,4-dibromo-5-methoxyanilino)acetic acid
CID 103414999
2-[(5-bromothiophene-2-carbonyl)amino]-2-cyclohexylacetic acid
CID 54901538
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
2-cyclopropyl-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]acetic acid
CID 120521194
5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557472

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid (CID 120521147) is 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid is COc1cc(C(=O)NC(C(=O)O)C2CC2)sc1Br.
What is the InChIKey of 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid?
The InChIKey is CFDOMJAJCCDYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO4S/c1-17-6-4-7(18-9(6)12)10(14)13-8(11(15)16)5-2-3-5/h4-5,8H,2-3H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid?
2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid has a molecular weight of 334.19 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-4-methoxythiophene-2-carbonyl)amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 120521147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).