3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

C11H15N3O2 — CID 66030583

IUPAC3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnc(NC2CCC(C(=O)O)C2)nc1
InChIInChI=1S/C11H15N3O2/c1-7-5-12-11(13-6-7)14-9-3-2-8(4-9)10(15)16/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBYXYSZVFKWVRJR-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.45
Rot. Bonds3

About 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030583) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030583
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1cnc(NC2CCC(C(=O)O)C2)nc1
InChIInChI=1S/C11H15N3O2/c1-7-5-12-11(13-6-7)14-9-3-2-8(4-9)10(15)16/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,12,13,14)
InChIKeyBYXYSZVFKWVRJR-UHFFFAOYSA-N
XLogP1.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 66030583) is 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is Cc1cnc(NC2CCC(C(=O)O)C2)nc1.
What is the InChIKey of 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is BYXYSZVFKWVRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7-5-12-11(13-6-7)14-9-3-2-8(4-9)10(15)16/h5-6,8-9H,2-4H2,1H3,(H,15,16)(H,12,13,14).
What are the key properties of 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).