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

C10H12FN3O2 — CID 104605879

IUPAC1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCCC1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-9(13-6-7)14-10(8(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H,12,13,14)
InChIKeyGTQHZOCLIYDLFZ-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.42
Rot. Bonds3

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

1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 104605879) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID104605879
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ncc(F)cn2)CCCC1
InChIInChI=1S/C10H12FN3O2/c11-7-5-12-9(13-6-7)14-10(8(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H,12,13,14)
InChIKeyGTQHZOCLIYDLFZ-UHFFFAOYSA-N
XLogP1.42
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R)-2-(2-chloro-5-fluoro-pyrimidin-4-ylamino)cyclopentanecarboxylic acid
CID 57602700
(2S)-2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 57602704
2-[(5-Fluoropyrimidin-2-yl)amino]butanoic acid
CID 104605851
1-[(5-Fluoro-2-methylpyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 143149941
2-Amino-3-methyl-2-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]heptanoic acid
CID 174212125
5-(5-Fluoropyrimidin-2-yl)-2-formamidopentanoic acid
CID 176035321
3-[(5-Fluoropyrimidin-2-yl)amino]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 176041606
US20250268854, Example 55
CID 167496402
1-(5-Fluoropyrimidin-2-yl)piperidine-2-carboxylic acid
CID 60137811
1-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]cyclopentane-1-carboxylic acid
CID 64587007
N-(2-chloro-5-fluoropyrimidin-4-yl)leucine
CID 66485421
2-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 76623193

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid (CID 104605879) is 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2ncc(F)cn2)CCCC1.
What is the InChIKey of 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GTQHZOCLIYDLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2/c11-7-5-12-9(13-6-7)14-10(8(15)16)3-1-2-4-10/h5-6H,1-4H2,(H,15,16)(H,12,13,14).
What are the key properties of 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid?
1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 225.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoropyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104605879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).