(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide

C8H11BrN2OS — CID 143606939

IUPAC(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide
SMILESCNC(=O)[C@H](N)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-11-8(12)6(10)4-5-2-3-7(9)13-5/h2-3,6H,4,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyRLZRUAIPFLPYTH-ZCFIWIBFSA-N
MW263.16 g/mol
LogP1.13
Rot. Bonds3

About (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide

(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide (PubChem CID 143606939) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide
PubChem CID143606939
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide
SMILESCNC(=O)[C@H](N)Cc1ccc(Br)s1
InChIInChI=1S/C8H11BrN2OS/c1-11-8(12)6(10)4-5-2-3-7(9)13-5/h2-3,6H,4,10H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyRLZRUAIPFLPYTH-ZCFIWIBFSA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-amino-N-(cyanomethyl)-3-(thiophen-2-yl)propanamide
CID 46883395
3-(4-bromothiophen-2-yl)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 71932332
2-(5-bromothiophen-2-yl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 72134884
4-[3-(4-Bromothiophen-2-yl)propanoylamino]butanamide
CID 72139226
(S)-2-((R)-2-Acetylamino-3-mercapto-propionylamino)-3-thiophen-2-yl-propionamide
CID 44299733
N-(2-{[(5-bromothiophen-2-yl)methyl]amino}ethyl)acetamide
CID 28710264
3-(4-Bromothiophen-2-YL)-N-methylpropanamide
CID 71932334
2-(5-Bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 61346823
4-(5-bromothiophen-2-yl)-N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)butanamide
CID 101836681
2-(4-Bromo-5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 102840396
2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 106048063
N-[2-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235198

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide (CID 143606939) is (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide is CNC(=O)[C@H](N)Cc1ccc(Br)s1.
What is the InChIKey of (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide?
The InChIKey is RLZRUAIPFLPYTH-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-11-8(12)6(10)4-5-2-3-7(9)13-5/h2-3,6H,4,10H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide?
(2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide has a molecular weight of 263.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(5-bromothiophen-2-yl)-N-methylpropanamide is sourced from PubChem (CID 143606939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).