2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

C11H17N3O4 — CID 137015754

IUPAC2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H17N3O4/c1-4-7(2)14(5-8(15)16)10-9(18-3)11(17)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyHSLZXSUOHMRYLI-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.47
Rot. Bonds6

About 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid

2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 137015754) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID137015754
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C11H17N3O4/c1-4-7(2)14(5-8(15)16)10-9(18-3)11(17)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,17)
InChIKeyHSLZXSUOHMRYLI-UHFFFAOYSA-N
XLogP0.47
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 136989946
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007498
ethyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-propylamino]acetate
CID 136989669
4-[ethyl(propyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009080
N-ethyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetamide
CID 137009327
4-[(3-amino-2-methylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136972773
4-[2-aminopropyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008367
4-[2,2-difluoroethyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137009953
4-[3-aminobutyl(methyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 137008782
5-methoxy-4-[methyl(2-propan-2-yloxyethyl)amino]-1H-pyrimidin-6-one
CID 136990031
5-methoxy-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 137009263
4-[(3-amino-2,2-dimethylpropyl)-ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136978681

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 137015754) is 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCC(C)N(CC(=O)O)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is HSLZXSUOHMRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-4-7(2)14(5-8(15)16)10-9(18-3)11(17)13-6-12-10/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,17).
What are the key properties of 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 137015754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).