(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid

C8H9NO3S — CID 908362

IUPAC(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
SMILESN[C@H](CC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H9NO3S/c9-5(8(11)12)4-6(10)7-2-1-3-13-7/h1-3,5H,4,9H2,(H,11,12)/t5-/m1/s1
InChIKeyXUGCZDJCOYYMLB-RXMQYKEDSA-N
MW199.23 g/mol
LogP0.73
Rot. Bonds4

About (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid

(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid (PubChem CID 908362) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
PubChem CID908362
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
SMILESN[C@H](CC(=O)c1cccs1)C(=O)O
InChIInChI=1S/C8H9NO3S/c9-5(8(11)12)4-6(10)7-2-1-3-13-7/h1-3,5H,4,9H2,(H,11,12)/t5-/m1/s1
InChIKeyXUGCZDJCOYYMLB-RXMQYKEDSA-N
XLogP0.73
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-oxo-4-thiophen-2-ylbutanoic acid;hydrochloride
CID 71756870
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
3-amino-3-(thiophene-2-carbonylamino)propanoic acid
CID 67329386
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
2-methyl-1-phenyl-4-thiophen-2-ylbutane-1,4-dione
CID 2802249
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
amino 3-oxo-3-thiophen-2-ylpropanoate
CID 68635142
(2R)-2-amino-4-(2,6-difluorophenyl)-4-oxobutanoic acid
CID 106702770
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid?
The IUPAC name of (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid (CID 908362) is (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid.
What is the SMILES notation for (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid?
The canonical SMILES for (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid is N[C@H](CC(=O)c1cccs1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid?
The InChIKey is XUGCZDJCOYYMLB-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H9NO3S/c9-5(8(11)12)4-6(10)7-2-1-3-13-7/h1-3,5H,4,9H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid?
(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid has a molecular weight of 199.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid is sourced from PubChem (CID 908362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).