(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid

C8H10BrNO3S — CID 95866465

IUPAC(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)[C@@H](NCCO)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO3S/c9-5-3-6(14-4-5)7(8(12)13)10-1-2-11/h3-4,7,10-11H,1-2H2,(H,12,13)/t7-/m0/s1
InChIKeyZNZNNGQQMXVGCW-ZETCQYMHSA-N
MW280.14 g/mol
LogP1.22
Rot. Bonds5

About (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid

(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid (PubChem CID 95866465) has the molecular formula C8H10BrNO3S and a molecular weight of 280.14 g/mol. Its IUPAC name is (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
PubChem CID95866465
Molecular FormulaC8H10BrNO3S
Molecular Weight280.14 g/mol
Exact Mass278.96
IUPAC Name(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid
SMILESO=C(O)[C@@H](NCCO)c1cc(Br)cs1
InChIInChI=1S/C8H10BrNO3S/c9-5-3-6(14-4-5)7(8(12)13)10-1-2-11/h3-4,7,10-11H,1-2H2,(H,12,13)/t7-/m0/s1
InChIKeyZNZNNGQQMXVGCW-ZETCQYMHSA-N
XLogP1.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.14
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid?
The IUPAC name of (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid (CID 95866465) is (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid.
What is the SMILES notation for (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid?
The canonical SMILES for (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid is O=C(O)[C@@H](NCCO)c1cc(Br)cs1.
What is the InChIKey of (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid?
The InChIKey is ZNZNNGQQMXVGCW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10BrNO3S/c9-5-3-6(14-4-5)7(8(12)13)10-1-2-11/h3-4,7,10-11H,1-2H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid?
(2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid has a molecular weight of 280.14 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromothiophen-2-yl)-2-(2-hydroxyethylamino)acetic acid is sourced from PubChem (CID 95866465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).