2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid

C11H14N2O3 — CID 66435959

IUPAC2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccncc2)CCO1
InChIInChI=1S/C11H14N2O3/c14-11(15)7-10-8-13(5-6-16-10)9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,14,15)
InChIKeyKISLXODIWCVUEA-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid

2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid (PubChem CID 66435959) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
PubChem CID66435959
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(c2ccncc2)CCO1
InChIInChI=1S/C11H14N2O3/c14-11(15)7-10-8-13(5-6-16-10)9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,14,15)
InChIKeyKISLXODIWCVUEA-UHFFFAOYSA-N
XLogP0.76
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-pyridin-4-ylazetidin-3-yl)acetic acid
CID 64616240
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835
2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435763
2-[4-(4-cyano-3-methylphenyl)morpholin-2-yl]acetic acid
CID 81273848
2-[4-(6-methoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66433439
2-[4-(6-carbamoyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66435001
2-[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]acetic acid
CID 66435975
2-(4-phthalazin-1-ylmorpholin-2-yl)acetic acid
CID 66435195
2-[4-(3-cyano-4-nitrophenyl)morpholin-2-yl]acetic acid
CID 115499945
2-[4-[(4-methyl-3-pyridinyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435665
2-[4-(5-nitro-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433050
2-[4-(6-ethoxypyrazin-2-yl)morpholin-2-yl]acetic acid
CID 66435962

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid (CID 66435959) is 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid is O=C(O)CC1CN(c2ccncc2)CCO1.
What is the InChIKey of 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid?
The InChIKey is KISLXODIWCVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-11(15)7-10-8-13(5-6-16-10)9-1-3-12-4-2-9/h1-4,10H,5-8H2,(H,14,15).
What are the key properties of 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid?
2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-4-ylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 66435959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).