2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid

C10H12BrNO2S — CID 103254834

IUPAC2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCc1cc(Br)cs1
InChIInChI=1S/C10H12BrNO2S/c11-6-3-7(15-5-6)4-12-9-2-1-8(9)10(13)14/h3,5,8-9,12H,1-2,4H2,(H,13,14)
InChIKeyDOCZLRDSWKEYFF-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.46
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid

2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 103254834) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID103254834
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1NCc1cc(Br)cs1
InChIInChI=1S/C10H12BrNO2S/c11-6-3-7(15-5-6)4-12-9-2-1-8(9)10(13)14/h3,5,8-9,12H,1-2,4H2,(H,13,14)
InChIKeyDOCZLRDSWKEYFF-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
trans-(1S,2S)-N-[(4-bromothiophen-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 95377382
(2R,3S)-N-[(4-bromothiophen-2-yl)methyl]-2-methyloxolan-3-amine
CID 97358196
(3S,4R)-4-[(4-bromothiophen-2-yl)methylamino]oxolan-3-ol
CID 130751579
N-[(4-bromothiophen-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602675
[2-[(4-bromothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 111440221
N-[(4-bromothiophen-2-yl)methyl]cyclopropanecarboxamide
CID 47250199
2-[(4-bromothiophen-2-yl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 81021307
N-[(4-bromothiophen-2-yl)methyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43726768
4-[(4-bromothiophen-2-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79210813
trans-(1S,3S)-N-[(4-bromothiophen-2-yl)methyl]-3-methylcyclohexan-1-amine
CID 93287197

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid (CID 103254834) is 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1NCc1cc(Br)cs1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is DOCZLRDSWKEYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-6-3-7(15-5-6)4-12-9-2-1-8(9)10(13)14/h3,5,8-9,12H,1-2,4H2,(H,13,14).
What are the key properties of 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid?
2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 290.18 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103254834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).