3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid

C10H13N3O2 — CID 84675079

IUPAC3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(NC2CC2)nc1
InChIInChI=1S/C10H13N3O2/c14-9(15)4-1-7-5-11-10(12-6-7)13-8-2-3-8/h5-6,8H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyHITDSRONSYWSAZ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.07
Rot. Bonds5

About 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid

3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid (PubChem CID 84675079) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid
PubChem CID84675079
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid
SMILESO=C(O)CCc1cnc(NC2CC2)nc1
InChIInChI=1S/C10H13N3O2/c14-9(15)4-1-7-5-11-10(12-6-7)13-8-2-3-8/h5-6,8H,1-4H2,(H,14,15)(H,11,12,13)
InChIKeyHITDSRONSYWSAZ-UHFFFAOYSA-N
XLogP1.07
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid (CID 84675079) is 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid is O=C(O)CCc1cnc(NC2CC2)nc1.
What is the InChIKey of 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid?
The InChIKey is HITDSRONSYWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c14-9(15)4-1-7-5-11-10(12-6-7)13-8-2-3-8/h5-6,8H,1-4H2,(H,14,15)(H,11,12,13).
What are the key properties of 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid?
3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 84675079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).