(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid

C12H15NO4S — CID 136583516

IUPAC(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid
SMILESCc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)sc1C
InChIInChI=1S/C12H15NO4S/c1-6-5-9(18-7(6)2)11(14)13-8-3-4-17-10(8)12(15)16/h5,8,10H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t8-,10+/m1/s1
InChIKeyNZJUZTGJHQTCGP-SCZZXKLOSA-N
MW269.32 g/mol
LogP1.34
Rot. Bonds3

About (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid

(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid (PubChem CID 136583516) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid
PubChem CID136583516
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid
SMILESCc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)sc1C
InChIInChI=1S/C12H15NO4S/c1-6-5-9(18-7(6)2)11(14)13-8-3-4-17-10(8)12(15)16/h5,8,10H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t8-,10+/m1/s1
InChIKeyNZJUZTGJHQTCGP-SCZZXKLOSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid?
The IUPAC name of (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid (CID 136583516) is (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid.
What is the SMILES notation for (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid?
The canonical SMILES for (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid is Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)O)sc1C.
What is the InChIKey of (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid?
The InChIKey is NZJUZTGJHQTCGP-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-6-5-9(18-7(6)2)11(14)13-8-3-4-17-10(8)12(15)16/h5,8,10H,3-4H2,1-2H3,(H,13,14)(H,15,16)/t8-,10+/m1/s1.
What are the key properties of (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid?
(2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[(4,5-dimethylthiophene-2-carbonyl)amino]oxolane-2-carboxylic acid is sourced from PubChem (CID 136583516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).