2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid

C11H12BrNO3S — CID 43655931

IUPAC2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO3S/c12-9-4-3-8(17-9)11(16)13(6-10(14)15)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyLLDRCLVEZRLYJF-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.45
Rot. Bonds5

About 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid

2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655931) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655931
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)c1ccc(Br)s1
InChIInChI=1S/C11H12BrNO3S/c12-9-4-3-8(17-9)11(16)13(6-10(14)15)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,14,15)
InChIKeyLLDRCLVEZRLYJF-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromothiophen-2-yl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656628
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
5-[cyclopropylmethyl(propyl)carbamoyl]thiophene-2-carboxylic acid
CID 60722178
2-[1-(5-bromothiophen-2-yl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65054657
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
2-[(2-amino-5-fluorobenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 61159892
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
2-[cyclopropylmethyl-(3-methyl-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 43655509
2-[cyclopropylmethyl-(3,5-dimethylbenzoyl)amino]acetic acid
CID 43655080
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid (CID 43655931) is 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is LLDRCLVEZRLYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-9-4-3-8(17-9)11(16)13(6-10(14)15)5-7-1-2-7/h3-4,7H,1-2,5-6H2,(H,14,15).
What are the key properties of 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 318.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).