(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium

C8H7BrFmNO3S- — CID 166481901

IUPAC(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium
SMILESO=[C-]N[C@@H](Cc1ccc(Br)s1)C(=O)O.[Fm]
InChIInChI=1S/C8H7BrNO3S.Fm/c9-7-2-1-5(14-7)3-6(8(12)13)10-4-11;/h1-2,6H,3H2,(H,10,11)(H,12,13);/q-1;/t6-;/m0./s1
InChIKeyBSYMTURGPLXQCH-RGMNGODLSA-N
MW534.12 g/mol
LogP1.16
Rot. Bonds5

About (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium

(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium (PubChem CID 166481901) has the molecular formula C8H7BrFmNO3S- and a molecular weight of 534.12 g/mol. Its IUPAC name is (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium.

Molecular Properties

Compound Name(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium
PubChem CID166481901
Molecular FormulaC8H7BrFmNO3S-
Molecular Weight534.12 g/mol
Exact Mass533.03
IUPAC Name(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium
SMILESO=[C-]N[C@@H](Cc1ccc(Br)s1)C(=O)O.[Fm]
InChIInChI=1S/C8H7BrNO3S.Fm/c9-7-2-1-5(14-7)3-6(8(12)13)10-4-11;/h1-2,6H,3H2,(H,10,11)(H,12,13);/q-1;/t6-;/m0./s1
InChIKeyBSYMTURGPLXQCH-RGMNGODLSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.12
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromothiophen-2-yl)-3-methylbutan-2-one
CID 60997090
(2S)-2-[(5-bromothiophen-2-yl)methylamino]-4-methylpentanoic acid
CID 120510995
(2R)-2-[(5-bromothiophen-2-yl)methylamino]-4-methylpentanoic acid
CID 120511455
(2S)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]butanoic acid
CID 113363086
3-[2-(5-bromothiophen-2-yl)ethylamino]-2-(methylamino)propanoic acid
CID 115256232
3-[4-[[2-(5-bromothiophen-2-yl)acetyl]amino]phenyl]-2-methylpropanoic acid
CID 120541133
(2S)-2-[2-(5-bromothiophen-2-yl)ethylcarbamoylamino]-3-hydroxypropanoic acid
CID 106040638
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-amino-3-(5-bromothiophen-2-yl)-N',N'-dimethylpropanehydrazide
CID 116849920
2-amino-4-[(5-bromothiophen-2-yl)methylamino]-4-oxobutanoic acid
CID 115181064
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-3-methylbutanoic acid
CID 115250321
3-[[2-(5-bromothiophen-2-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119228438

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium?
The IUPAC name of (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium (CID 166481901) is (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium.
What is the SMILES notation for (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium?
The canonical SMILES for (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium is O=[C-]N[C@@H](Cc1ccc(Br)s1)C(=O)O.[Fm].
What is the InChIKey of (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium?
The InChIKey is BSYMTURGPLXQCH-RGMNGODLSA-N. The full InChI is InChI=1S/C8H7BrNO3S.Fm/c9-7-2-1-5(14-7)3-6(8(12)13)10-4-11;/h1-2,6H,3H2,(H,10,11)(H,12,13);/q-1;/t6-;/m0./s1.
What are the key properties of (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium?
(2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium has a molecular weight of 534.12 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(5-bromothiophen-2-yl)-2-(oxomethylamino)propanoic acid;fermium is sourced from PubChem (CID 166481901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).