(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid

C9H10BrNO3S — CID 115380715

IUPAC(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1sccc1Br
InChIInChI=1S/C9H10BrNO3S/c1-5(12)11-7(4-8(13)14)9-6(10)2-3-15-9/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeySWZAGOMETYSCIC-SSDOTTSWSA-N
MW292.15 g/mol
LogP2.16
Rot. Bonds4

About (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid

(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid (PubChem CID 115380715) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
PubChem CID115380715
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid
SMILESCC(=O)N[C@H](CC(=O)O)c1sccc1Br
InChIInChI=1S/C9H10BrNO3S/c1-5(12)11-7(4-8(13)14)9-6(10)2-3-15-9/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeySWZAGOMETYSCIC-SSDOTTSWSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-1-(3-methylthiophen-2-yl)ethyl]acetamide
CID 116860798
2-(3-bromothiophen-2-yl)-2-(2-methylpropylamino)acetic acid
CID 115380650
(3R)-3-acetamido-3-(4-bromo-3-fluorophenyl)propanoic acid
CID 81436558
(2R)-2-acetamido-3-[(3-bromothiophen-2-yl)methylsulfonyl]propanoic acid
CID 107774867
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
(3S)-3-acetamido-3-(5-methylthiophen-2-yl)propanoic acid
CID 78947504
5-amino-5-(3-bromothiophen-2-yl)-3,3-dimethylpentanoic acid
CID 80536071
(3S)-3-acetamido-3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid
CID 78947500
(3R)-3-amino-3-(3-bromothiophen-2-yl)propanamide
CID 115380713
2-[acetyl(methyl)amino]-2-(3-bromothiophen-2-yl)acetic acid
CID 115380681
1-(3-bromothiophen-2-yl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 115848103
(3S)-3-acetamido-3-(2-methyl-1,3-thiazol-4-yl)propanoic acid
CID 104862990

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid?
The IUPAC name of (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid (CID 115380715) is (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid.
What is the SMILES notation for (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid?
The canonical SMILES for (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid is CC(=O)N[C@H](CC(=O)O)c1sccc1Br.
What is the InChIKey of (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid?
The InChIKey is SWZAGOMETYSCIC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-5(12)11-7(4-8(13)14)9-6(10)2-3-15-9/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid?
(3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid has a molecular weight of 292.15 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-3-(3-bromothiophen-2-yl)propanoic acid is sourced from PubChem (CID 115380715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).