2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid

C12H17N3O3 — CID 64699791

IUPAC2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid
SMILESCOc1ccnc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-9-4-7-13-11(14-9)15-12(8-10(16)17)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyAYNUYUKYXUYGCN-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.68
Rot. Bonds5

About 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid

2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid (PubChem CID 64699791) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid
PubChem CID64699791
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid
SMILESCOc1ccnc(NC2(CC(=O)O)CCCC2)n1
InChIInChI=1S/C12H17N3O3/c1-18-9-4-7-13-11(14-9)15-12(8-10(16)17)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyAYNUYUKYXUYGCN-UHFFFAOYSA-N
XLogP1.68
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid (CID 64699791) is 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid is COc1ccnc(NC2(CC(=O)O)CCCC2)n1.
What is the InChIKey of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid?
The InChIKey is AYNUYUKYXUYGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-9-4-7-13-11(14-9)15-12(8-10(16)17)5-2-3-6-12/h4,7H,2-3,5-6,8H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid?
2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64699791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).