2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid

C17H26N4O5 — CID 136990446

IUPAC2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C17H26N4O5/c1-11-12(5-6-13(22)20(4)17(2,3)15(24)25)14(23)19-16(18-11)21-7-9-26-10-8-21/h5-10H2,1-4H3,(H,24,25)(H,18,19,23)
InChIKeyGWWPWBIYTBMZPE-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.17
Rot. Bonds6

About 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid

2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid (PubChem CID 136990446) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
PubChem CID136990446
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Name2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid
SMILESCc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C17H26N4O5/c1-11-12(5-6-13(22)20(4)17(2,3)15(24)25)14(23)19-16(18-11)21-7-9-26-10-8-21/h5-10H2,1-4H3,(H,24,25)(H,18,19,23)
InChIKeyGWWPWBIYTBMZPE-UHFFFAOYSA-N
XLogP0.17
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid (CID 136990446) is 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid?
The InChIKey is GWWPWBIYTBMZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-11-12(5-6-13(22)20(4)17(2,3)15(24)25)14(23)19-16(18-11)21-7-9-26-10-8-21/h5-10H2,1-4H3,(H,24,25)(H,18,19,23).
What are the key properties of 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid has a molecular weight of 366.42 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanoyl]amino]propanoic acid is sourced from PubChem (CID 136990446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).