(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid

C10H13NO3S — CID 51441029

IUPAC(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m1/s1
InChIKeyIEOHUEJXQTUKTI-SECBINFHSA-N
MW227.28 g/mol
LogP1.03
Rot. Bonds3

About (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid

(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid (PubChem CID 51441029) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
PubChem CID51441029
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(Cc2cccs2)CCO1
InChIInChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m1/s1
InChIKeyIEOHUEJXQTUKTI-SECBINFHSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid (CID 51441029) is (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(Cc2cccs2)CCO1.
What is the InChIKey of (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
The InChIKey is IEOHUEJXQTUKTI-SECBINFHSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-10(13)9-7-11(3-4-14-9)6-8-2-1-5-15-8/h1-2,5,9H,3-4,6-7H2,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid?
(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid has a molecular weight of 227.28 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 51441029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).