1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

C10H13N3O4 — CID 136959383

IUPAC1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-6-7(11-5-12-8(6)14)13-10(9(15)16)3-2-4-10/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDEHOTWLVMZRNGG-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.20
Rot. Bonds4

About 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid

1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (PubChem CID 136959383) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
PubChem CID136959383
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
SMILESCOc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-17-6-7(11-5-12-8(6)14)13-10(9(15)16)3-2-4-10/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14)
InChIKeyDEHOTWLVMZRNGG-UHFFFAOYSA-N
XLogP0.20
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

3-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136948992
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958436
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958474
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958603
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958674
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958726
2-cyclopropyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958790
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
CID 136958802
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958947
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136959048
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 136959117

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid (CID 136959383) is 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is COc1c(NC2(C(=O)O)CCC2)nc[nH]c1=O.
What is the InChIKey of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is DEHOTWLVMZRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-17-6-7(11-5-12-8(6)14)13-10(9(15)16)3-2-4-10/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,13,14).
What are the key properties of 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid?
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 136959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).