2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid

C11H17N3O3 — CID 136958767

IUPAC2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1nc(N(C)C(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-6(2)10-12-8(5-9(15)13-10)14(4)7(3)11(16)17/h5-7H,1-4H3,(H,16,17)(H,12,13,15)
InChIKeyWEVDSZQITMYHHP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.80
Rot. Bonds4

About 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid

2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958767) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958767
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1nc(N(C)C(C)C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-6(2)10-12-8(5-9(15)13-10)14(4)7(3)11(16)17/h5-7H,1-4H3,(H,16,17)(H,12,13,15)
InChIKeyWEVDSZQITMYHHP-UHFFFAOYSA-N
XLogP0.80
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959230
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
3,3,3-trifluoro-2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959291
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 136734032
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958335
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958336
2-[methyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958337
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetic acid
CID 136958339

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958767) is 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid is CC(C)c1nc(N(C)C(C)C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is WEVDSZQITMYHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(2)10-12-8(5-9(15)13-10)14(4)7(3)11(16)17/h5-7H,1-4H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).