(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide

C7H9BrN2OS — CID 115380713

IUPAC(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1sccc1Br
InChIInChI=1S/C7H9BrN2OS/c8-4-1-2-12-7(4)5(9)3-6(10)11/h1-2,5H,3,9H2,(H2,10,11)/t5-/m1/s1
InChIKeyVVRVFJGWAMNALR-RXMQYKEDSA-N
MW249.13 g/mol
LogP1.39
Rot. Bonds3

About (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide

(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide (PubChem CID 115380713) has the molecular formula C7H9BrN2OS and a molecular weight of 249.13 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
PubChem CID115380713
Molecular FormulaC7H9BrN2OS
Molecular Weight249.13 g/mol
Exact Mass247.96
IUPAC Name(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
SMILESNC(=O)C[C@@H](N)c1sccc1Br
InChIInChI=1S/C7H9BrN2OS/c8-4-1-2-12-7(4)5(9)3-6(10)11/h1-2,5H,3,9H2,(H2,10,11)/t5-/m1/s1
InChIKeyVVRVFJGWAMNALR-RXMQYKEDSA-N
XLogP1.39
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.13
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
3-amino-3-(3-methylthiophen-2-yl)propanamide
CID 43147956
5-amino-5-(3-bromothiophen-2-yl)-3,3-dimethylpentanoic acid
CID 80536071
(1R)-1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 130055235
1-(3-bromothiophen-2-yl)-2-methylsulfonylethanamine
CID 80534875
methyl 2-[2-amino-2-(3-bromothiophen-2-yl)ethoxy]acetate
CID 80535938
(3S)-3-amino-3-(3-bromothiophen-2-yl)propanenitrile
CID 131189229
(1S)-1-(3-bromothiophen-2-yl)-4-methylpentan-1-amine;hydrochloride
CID 171230637
(1S)-1-(3-bromothiophen-2-yl)-2-cyclopropylethanamine
CID 130739172
1-(3-bromothiophen-2-yl)tridecan-1-amine
CID 115846566
(3S)-3-amino-3-(4,5-dibromofuran-2-yl)propanamide
CID 78986249
(1S)-1-(3-bromothiophen-2-yl)-2-methylpropan-1-amine
CID 131098099

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide?
The IUPAC name of (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide (CID 115380713) is (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide.
What is the SMILES notation for (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide?
The canonical SMILES for (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide is NC(=O)C[C@@H](N)c1sccc1Br.
What is the InChIKey of (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide?
The InChIKey is VVRVFJGWAMNALR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9BrN2OS/c8-4-1-2-12-7(4)5(9)3-6(10)11/h1-2,5H,3,9H2,(H2,10,11)/t5-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide?
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide has a molecular weight of 249.13 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide is sourced from PubChem (CID 115380713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).