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

C11H15N3O4 — CID 137037818

IUPAC2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
SMILESCc1cc(=O)[nH]c([C@@H]2CN(CC(=O)O)CCO2)n1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(15)13-11(12-7)8-5-14(2-3-18-8)6-10(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1
InChIKeyCXNAHKZPBRHKCN-QMMMGPOBSA-N
MW253.26 g/mol
LogP-0.46
Rot. Bonds3

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

2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid (PubChem CID 137037818) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
PubChem CID137037818
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
SMILESCc1cc(=O)[nH]c([C@@H]2CN(CC(=O)O)CCO2)n1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(15)13-11(12-7)8-5-14(2-3-18-8)6-10(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1
InChIKeyCXNAHKZPBRHKCN-QMMMGPOBSA-N
XLogP-0.46
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
4-methyl-2-[(2R)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140130
4-methyl-2-[(2S)-4-[(5-methyl-1H-imidazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137140131
4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168580
4-methyl-2-[(2S)-4-[(2-propan-2-ylpyrazol-3-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137037811
4-methyl-2-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137168467
2-[4-[(5-chloro-2-pyridinyl)methyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844262
4-methyl-2-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844361
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 136793093
4-methyl-2-[(2S)-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137131722

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid (CID 137037818) is 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid is Cc1cc(=O)[nH]c([C@@H]2CN(CC(=O)O)CCO2)n1.
What is the InChIKey of 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid?
The InChIKey is CXNAHKZPBRHKCN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-4-9(15)13-11(12-7)8-5-14(2-3-18-8)6-10(16)17/h4,8H,2-3,5-6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid?
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid is sourced from PubChem (CID 137037818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).