2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid

C10H10BrNO3S — CID 115380688

IUPAC2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1sccc1Br
InChIInChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)8(10(14)15)12(5-13)6-1-2-6/h3-6,8H,1-2H2,(H,14,15)
InChIKeyUONBXHRHDKAONK-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.26
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid

2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid (PubChem CID 115380688) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid
PubChem CID115380688
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1sccc1Br
InChIInChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)8(10(14)15)12(5-13)6-1-2-6/h3-6,8H,1-2H2,(H,14,15)
InChIKeyUONBXHRHDKAONK-UHFFFAOYSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
CID 115380681
2-[cyclopropyl(formyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)acetic acid
CID 104770725
2-[cyclopropyl(formyl)amino]-2-(2-ethylphenyl)acetic acid
CID 55233210
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(9H-fluoren-9-ylmethoxycarbonyl)amino]acetic acid
CID 103829212
2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
CID 114843787
2-[cyclopropyl(formyl)amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 63687625
2-[cyclopropyl(formyl)amino]-2-(3,4-dimethoxyphenyl)acetic acid
CID 63688559
2-[cyclopropyl(formyl)amino]-2-(6-methoxy-3-pyridinyl)acetic acid
CID 114937473
2-[cyclopropyl(formyl)amino]-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 107104778
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
CID 62034468
2-[(3-bromothiophen-2-yl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392585
2-(3-bromothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetic acid
CID 115381023

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The IUPAC name of 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid (CID 115380688) is 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid is O=CN(C1CC1)C(C(=O)O)c1sccc1Br.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
The InChIKey is UONBXHRHDKAONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)8(10(14)15)12(5-13)6-1-2-6/h3-6,8H,1-2H2,(H,14,15).
What are the key properties of 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid?
2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid has a molecular weight of 304.17 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-2-[cyclopropyl(formyl)amino]acetic acid is sourced from PubChem (CID 115380688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).