2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

C10H12BrNO2S — CID 116953803

IUPAC2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1ccc(Br)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12BrNO2S/c1-12-9(5-4-6(5)10(13)14)7-2-3-8(11)15-7/h2-3,5-6,9,12H,4H2,1H3,(H,13,14)
InChIKeyKFDXCJNIRHWDQR-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.49
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116953803) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116953803
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1ccc(Br)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12BrNO2S/c1-12-9(5-4-6(5)10(13)14)7-2-3-8(11)15-7/h2-3,5-6,9,12H,4H2,1H3,(H,13,14)
InChIKeyKFDXCJNIRHWDQR-UHFFFAOYSA-N
XLogP2.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromothiophen-2-yl)-N-methylmethanamine
CID 61363969
2-[(5-bromo-2-methylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953849
2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953828
2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953791
3-(5-bromothiophen-2-yl)-3-(dimethylamino)-2-(methylamino)propanoic acid
CID 116914048
4-[(5-bromothiophen-2-yl)-(methylamino)methyl]benzoic acid
CID 116953930
1-(5-bromothiophen-2-yl)-1-(4-butylcyclohexyl)-N-methylmethanamine
CID 55196072
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476
1-(5-bromothiophen-2-yl)-N-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanamine
CID 79914771
2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
CID 61345849
2-[(5-chlorothiophen-2-yl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908369
2-[3H-benzimidazol-5-yl(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953841

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (CID 116953803) is 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is CNC(c1ccc(Br)s1)C1CC1C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is KFDXCJNIRHWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-12-9(5-4-6(5)10(13)14)7-2-3-8(11)15-7/h2-3,5-6,9,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 290.18 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116953803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).