2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid

C12H17N3O2 — CID 116975236

IUPAC2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1ncc(C2CCCC2)cn1)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(11(16)17)15-12-13-6-10(7-14-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyPNJHISROXRZIEN-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.02
Rot. Bonds4

About 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid

2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid (PubChem CID 116975236) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid
PubChem CID116975236
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid
SMILESCC(Nc1ncc(C2CCCC2)cn1)C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(11(16)17)15-12-13-6-10(7-14-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyPNJHISROXRZIEN-UHFFFAOYSA-N
XLogP2.02
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid (CID 116975236) is 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid is CC(Nc1ncc(C2CCCC2)cn1)C(=O)O.
What is the InChIKey of 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid?
The InChIKey is PNJHISROXRZIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(11(16)17)15-12-13-6-10(7-14-12)9-4-2-3-5-9/h6-9H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid?
2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid has a molecular weight of 235.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopentylpyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 116975236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).