1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid

C10H13N3O2 — CID 130575371

IUPAC1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1ccncn1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O2/c11-8(7-2-5-12-6-13-7)10(9(14)15)3-1-4-10/h2,5-6,8H,1,3-4,11H2,(H,14,15)
InChIKeyZJMXJQYANOPAEZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.73
Rot. Bonds3

About 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid

1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 130575371) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID130575371
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid
SMILESNC(c1ccncn1)C1(C(=O)O)CCC1
InChIInChI=1S/C10H13N3O2/c11-8(7-2-5-12-6-13-7)10(9(14)15)3-1-4-10/h2,5-6,8H,1,3-4,11H2,(H,14,15)
InChIKeyZJMXJQYANOPAEZ-UHFFFAOYSA-N
XLogP0.73
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid (CID 130575371) is 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid is NC(c1ccncn1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is ZJMXJQYANOPAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-8(7-2-5-12-6-13-7)10(9(14)15)3-1-4-10/h2,5-6,8H,1,3-4,11H2,(H,14,15).
What are the key properties of 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid?
1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(pyrimidin-4-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 130575371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).