2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid

C10H12BrNO3S — CID 63702744

IUPAC2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO3S/c1-6(2)12(5-13)9(10(14)15)7-3-4-8(11)16-7/h3-6,9H,1-2H3,(H,14,15)
InChIKeyUGSKQXAHLPLJNZ-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.50
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid

2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid (PubChem CID 63702744) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
PubChem CID63702744
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC Name2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(C=O)C(C(=O)O)c1ccc(Br)s1
InChIInChI=1S/C10H12BrNO3S/c1-6(2)12(5-13)9(10(14)15)7-3-4-8(11)16-7/h3-6,9H,1-2H3,(H,14,15)
InChIKeyUGSKQXAHLPLJNZ-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.50
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-[formyl(propan-2-yl)amino]-2-(5-methylthiophen-2-yl)acetic acid
CID 63705097
2-(2-bromophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 63701963
2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
CID 61345849
2-(3,5-dichlorophenyl)-2-[formyl(propan-2-yl)amino]acetic acid
CID 55234208
4-[2-(5-bromothiophen-2-yl)propanoyl-methylamino]butanoic acid
CID 119173245
2-(4,5-dibromothiophen-2-yl)-2-[ethyl(formyl)amino]acetic acid
CID 102841092
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2-(methylamino)propanoic acid
CID 116914048
2-(5-bromothiophen-2-yl)pentanoic acid
CID 82091087
methyl 2-(5-bromothiophen-2-yl)-3-oxopropanoate
CID 86640017
2-[(5-bromothiophen-2-yl)-hydroxymethyl]butanoic acid
CID 62398841
(2S,3R,4E)-3-(5-bromothiophen-2-yl)-4-ethenyl-6-fluoro-2-methylhepta-4,6-dienoic acid
CID 143670996
2-(5-bromothiophen-2-yl)-4-methylpentanal
CID 83844459

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid (CID 63702744) is 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid is CC(C)N(C=O)C(C(=O)O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid?
The InChIKey is UGSKQXAHLPLJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-6(2)12(5-13)9(10(14)15)7-3-4-8(11)16-7/h3-6,9H,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid?
2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid has a molecular weight of 306.18 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-[formyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 63702744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).