[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid

C11H13N3O4 — CID 175806036

IUPAC[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccnc(CC2COCC(=O)N2)c1
InChIInChI=1S/C11H13N3O4/c15-10-6-18-5-9(13-10)4-8-3-7(1-2-12-8)14-11(16)17/h1-3,9H,4-6H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyIGKIMSBNWPVYEF-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.23
Rot. Bonds3

About [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid

[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid (PubChem CID 175806036) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid.

Molecular Properties

Compound Name[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid
PubChem CID175806036
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid
SMILESO=C(O)Nc1ccnc(CC2COCC(=O)N2)c1
InChIInChI=1S/C11H13N3O4/c15-10-6-18-5-9(13-10)4-8-3-7(1-2-12-8)14-11(16)17/h1-3,9H,4-6H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyIGKIMSBNWPVYEF-UHFFFAOYSA-N
XLogP0.23
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid?
The IUPAC name of [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid (CID 175806036) is [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid.
What is the SMILES notation for [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid?
The canonical SMILES for [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid is O=C(O)Nc1ccnc(CC2COCC(=O)N2)c1.
What is the InChIKey of [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid?
The InChIKey is IGKIMSBNWPVYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-10-6-18-5-9(13-10)4-8-3-7(1-2-12-8)14-11(16)17/h1-3,9H,4-6H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid?
[2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid has a molecular weight of 251.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-oxomorpholin-3-yl)methyl]-4-pyridinyl]carbamic acid is sourced from PubChem (CID 175806036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).