2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid

C13H17N3O4 — CID 136959329

IUPAC2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O4/c17-11-6-10(14-13(15-11)8-1-2-8)16-3-4-20-7-9(16)5-12(18)19/h6,8-9H,1-5,7H2,(H,18,19)(H,14,15,17)
InChIKeyGYUHYELSQPDWHU-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid

2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid (PubChem CID 136959329) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
PubChem CID136959329
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C13H17N3O4/c17-11-6-10(14-13(15-11)8-1-2-8)16-3-4-20-7-9(16)5-12(18)19/h6,8-9H,1-5,7H2,(H,18,19)(H,14,15,17)
InChIKeyGYUHYELSQPDWHU-UHFFFAOYSA-N
XLogP0.33
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid (CID 136959329) is 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
The InChIKey is GYUHYELSQPDWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-11-6-10(14-13(15-11)8-1-2-8)16-3-4-20-7-9(16)5-12(18)19/h6,8-9H,1-5,7H2,(H,18,19)(H,14,15,17).
What are the key properties of 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid?
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid has a molecular weight of 279.30 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 136959329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).