2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid

C13H14N2O5 — CID 11097854

IUPAC2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1OCCN(NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O5/c16-11(17)8-10-13(19)15(6-7-20-10)14-12(18)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeySBMCPJKHFADWHZ-SNVBAGLBSA-N
MW278.26 g/mol
LogP0.03
Rot. Bonds4

About 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid

2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid (PubChem CID 11097854) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
PubChem CID11097854
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1OCCN(NC(=O)c2ccccc2)C1=O
InChIInChI=1S/C13H14N2O5/c16-11(17)8-10-13(19)15(6-7-20-10)14-12(18)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m1/s1
InChIKeySBMCPJKHFADWHZ-SNVBAGLBSA-N
XLogP0.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid (CID 11097854) is 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid is O=C(O)C[C@H]1OCCN(NC(=O)c2ccccc2)C1=O.
What is the InChIKey of 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is SBMCPJKHFADWHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O5/c16-11(17)8-10-13(19)15(6-7-20-10)14-12(18)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,18)(H,16,17)/t10-/m1/s1.
What are the key properties of 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid?
2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 278.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 11097854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).