(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid

C8H8N2O4S — CID 70554703

IUPAC(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
SMILESNC(=O)C(=O)N[C@H](C(=O)O)c1cccs1
InChIInChI=1S/C8H8N2O4S/c9-6(11)7(12)10-5(8(13)14)4-2-1-3-15-4/h1-3,5H,(H2,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
InChIKeyCXPWSYLIIDGPCQ-YFKPBYRVSA-N
MW228.23 g/mol
LogP-0.52
Rot. Bonds3

About (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid

(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid (PubChem CID 70554703) has the molecular formula C8H8N2O4S and a molecular weight of 228.23 g/mol. Its IUPAC name is (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
PubChem CID70554703
Molecular FormulaC8H8N2O4S
Molecular Weight228.23 g/mol
Exact Mass228.02
IUPAC Name(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
SMILESNC(=O)C(=O)N[C@H](C(=O)O)c1cccs1
InChIInChI=1S/C8H8N2O4S/c9-6(11)7(12)10-5(8(13)14)4-2-1-3-15-4/h1-3,5H,(H2,9,11)(H,10,12)(H,13,14)/t5-/m0/s1
InChIKeyCXPWSYLIIDGPCQ-YFKPBYRVSA-N
XLogP-0.52
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
2-(carbamoylamino)-2-thiophen-2-ylacetamide
CID 54396307
2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
CID 115283749
2-(dimethylaminocarbamoylamino)-2-thiophen-2-ylacetic acid
CID 54530029
2-(5-methylhexan-2-ylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285557
2-formamido-2-thiophen-2-ylacetic acid
CID 21492681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid (CID 70554703) is (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid is NC(=O)C(=O)N[C@H](C(=O)O)c1cccs1.
What is the InChIKey of (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is CXPWSYLIIDGPCQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8N2O4S/c9-6(11)7(12)10-5(8(13)14)4-2-1-3-15-4/h1-3,5H,(H2,9,11)(H,10,12)(H,13,14)/t5-/m0/s1.
What are the key properties of (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid?
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 228.23 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 70554703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).