2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid

C10H12BrNO2S — CID 62697507

IUPAC2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCc1sccc1Br)C1CC1
InChIInChI=1S/C10H12BrNO2S/c11-7-3-4-15-8(7)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14)
InChIKeyVEKKYIOROVAZLU-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid

2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid (PubChem CID 62697507) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
PubChem CID62697507
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCc1sccc1Br)C1CC1
InChIInChI=1S/C10H12BrNO2S/c11-7-3-4-15-8(7)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14)
InChIKeyVEKKYIOROVAZLU-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-bromo-3-methylphenyl)methylamino]-2-cyclopropylacetic acid
CID 66479518
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorophenyl)-1-cyclopropylmethanamine
CID 78974964
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
2-[(3-bromothiophen-2-yl)methylamino]-N-(ethylcarbamoyl)propanamide
CID 78983667
2-[(5-bromo-1H-indol-3-yl)methylamino]-2-cyclopropylacetic acid
CID 65060268
N-[(3-bromothiophen-2-yl)methyl]-2-hydroxy-2-phenylacetamide
CID 103717860
N-[(3-bromothiophen-2-yl)methyl]azetidine-2-carboxamide
CID 131165790
2-[(3-bromothiophen-2-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 78983885
N-[(3-bromothiophen-2-yl)methyl]thian-4-amine
CID 78943460
(2R)-2-[(3-bromothiophen-2-yl)methylamino]-2-phenylethanol
CID 95027212
N-[(3-bromothiophen-2-yl)methyl]-1-(4-chlorocyclohexyl)methanamine
CID 106123711

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid (CID 62697507) is 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid is O=C(O)C(NCc1sccc1Br)C1CC1.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid?
The InChIKey is VEKKYIOROVAZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-7-3-4-15-8(7)5-12-9(10(13)14)6-1-2-6/h3-4,6,9,12H,1-2,5H2,(H,13,14).
What are the key properties of 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid?
2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid has a molecular weight of 290.18 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).