(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid

C10H13NO4S — CID 107822672

IUPAC(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccs1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13NO4S/c12-4-3-8(10(14)15)11-9(13)6-7-2-1-5-16-7/h1-2,5,8,12H,3-4,6H2,(H,11,13)(H,14,15)/t8-/m1/s1
InChIKeyKOKNIGZUGBSVAN-MRVPVSSYSA-N
MW243.28 g/mol
LogP0.24
Rot. Bonds6

About (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid

(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid (PubChem CID 107822672) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid
PubChem CID107822672
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid
SMILESO=C(Cc1cccs1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H13NO4S/c12-4-3-8(10(14)15)11-9(13)6-7-2-1-5-16-7/h1-2,5,8,12H,3-4,6H2,(H,11,13)(H,14,15)/t8-/m1/s1
InChIKeyKOKNIGZUGBSVAN-MRVPVSSYSA-N
XLogP0.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid (CID 107822672) is (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid is O=C(Cc1cccs1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid?
The InChIKey is KOKNIGZUGBSVAN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13NO4S/c12-4-3-8(10(14)15)11-9(13)6-7-2-1-5-16-7/h1-2,5,8,12H,3-4,6H2,(H,11,13)(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid has a molecular weight of 243.28 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-thiophen-2-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 107822672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).