2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid

C10H10BrNO3S — CID 62034468

IUPAC2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)10(15)12(5-8(13)14)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyGAGSYXVWZKWBSR-UHFFFAOYSA-N
MW304.17 g/mol
LogP2.20
Rot. Bonds4

About 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid

2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid (PubChem CID 62034468) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
PubChem CID62034468
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)c1sccc1Br)C1CC1
InChIInChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)10(15)12(5-8(13)14)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyGAGSYXVWZKWBSR-UHFFFAOYSA-N
XLogP2.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
2-[cyclopropyl-(3-pyrrol-1-ylthiophene-2-carbonyl)amino]acetic acid
CID 60825076
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-N-cyclopropylthiophene-2-carboxamide
CID 55240299
3-bromo-N-cyclopropyl-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 60777644
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113223704
3-bromo-N,N-dicyclopentylthiophene-2-carboxamide
CID 60619670
3-bromo-N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]thiophene-2-carboxamide
CID 55761445
2-[(3-bromothiophene-2-carbonyl)-prop-2-ynylamino]acetic acid
CID 79275282
1-(3-bromothiophen-2-yl)-2-[cyclopropyl(2-hydroxyethyl)amino]ethanone
CID 62030340
2-[(4-bromo-3-methylbenzoyl)-cyclopropylamino]acetic acid
CID 113396633
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[cyclobutyl-(4,5-dibromothiophene-3-carbonyl)amino]acetic acid
CID 166324372

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid (CID 62034468) is 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)c1sccc1Br)C1CC1.
What is the InChIKey of 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid?
The InChIKey is GAGSYXVWZKWBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c11-7-3-4-16-9(7)10(15)12(5-8(13)14)6-1-2-6/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid?
2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid has a molecular weight of 304.17 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophene-2-carbonyl)-cyclopropylamino]acetic acid is sourced from PubChem (CID 62034468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).