1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

C11H14FN3O3 — CID 137343576

IUPAC1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1nc(NC2(C(=O)O)CCCC2)ncc1F
InChIInChI=1S/C11H14FN3O3/c1-18-8-7(12)6-13-10(14-8)15-11(9(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLQKMCANVMOFAJZ-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.43
Rot. Bonds4

About 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid

1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 137343576) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID137343576
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1nc(NC2(C(=O)O)CCCC2)ncc1F
InChIInChI=1S/C11H14FN3O3/c1-18-8-7(12)6-13-10(14-8)15-11(9(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15)
InChIKeyLQKMCANVMOFAJZ-UHFFFAOYSA-N
XLogP1.43
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

1-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
1-[(5-Fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 104605879
1-{2-[(5-Fluoro-4-methoxypyrimidin-2-yl)amino]ethyl}cyclopentanol
CID 131897496
1-[(5-Fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxamide
CID 137340576
1-[[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
CID 137343680
(2S,4S)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]pyrrolidine-2-carboxylic acid
CID 137345687
(2S)-2-[(4-methoxypyrimidin-2-yl)amino]-5,5-dimethylhexanoic acid
CID 172210193
2-[(4-Methoxypyrimidin-2-yl)amino]hexanoic acid
CID 43470263
2-[(4-Methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
CID 43619335
1-[(4-Methoxypyrimidin-2-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 61289574
1-[(4-Methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 61289716
1-[(4-Methoxypyrimidin-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61289787

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 137343576) is 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is COc1nc(NC2(C(=O)O)CCCC2)ncc1F.
What is the InChIKey of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is LQKMCANVMOFAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-18-8-7(12)6-13-10(14-8)15-11(9(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H,13,14,15).
What are the key properties of 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 255.25 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 137343576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).