methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate

C14H19N3O4 — CID 135998953

IUPACmethyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)7-6-10(18)21-3/h9H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyLITZGSUDXJLTDN-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.59
Rot. Bonds5

About methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate

methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate (PubChem CID 135998953) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate
PubChem CID135998953
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O
InChIInChI=1S/C14H19N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)7-6-10(18)21-3/h9H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyLITZGSUDXJLTDN-UHFFFAOYSA-N
XLogP0.59
TPSA92.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate (CID 135998953) is methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)c1c(C)nc(C2CC2)[nH]c1=O.
What is the InChIKey of methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate?
The InChIKey is LITZGSUDXJLTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-11(13(19)16-12(15-8)9-4-5-9)14(20)17(2)7-6-10(18)21-3/h9H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate?
methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate has a molecular weight of 293.32 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopropyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 135998953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).