1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid

C11H14N2O3 — CID 84788564

IUPAC1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCCC2)nc1
InChIInChI=1S/C11H14N2O3/c1-16-8-6-12-9(13-7-8)11(10(14)15)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVTZAZRKTVOLORK-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.38
Rot. Bonds3

About 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid

1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 84788564) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid
PubChem CID84788564
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid
SMILESCOc1cnc(C2(C(=O)O)CCCC2)nc1
InChIInChI=1S/C11H14N2O3/c1-16-8-6-12-9(13-7-8)11(10(14)15)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyVTZAZRKTVOLORK-UHFFFAOYSA-N
XLogP1.38
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(Difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid
CID 137356932
Cyclopentyl-(5-methoxypyrimidin-2-yl)methanol
CID 169574362
Cyclopentyl-(5-methoxypyrimidin-2-yl)methanone
CID 169575855
(2S)-2-[(5-methoxypyrimidin-2-yl)amino]-5,5-dimethylhexanoic acid
CID 172210236
5,5-Dimethylhexanoic acid;5-methoxypyrimidin-2-amine
CID 172309255
(2-Cyclopropylpyrimidin-5-yl) 3-methylhexanoate
CID 174261070
3-(Cyclopropylmethyl)-1-(5-methoxypyrimidin-2-yl)piperidine-3-carboxylic acid
CID 72913871
(3S,4S)-1-(5-methoxypyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 72936986
2-(5-Methoxypyrimidin-2-yl)propanoic acid
CID 84768663
1-(5-Methoxypyrimidin-2-yl)cyclopropane-1-carboxylic acid
CID 84773073
3-(5-Methoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 84773888
3-(5-Methoxypyrimidin-2-yl)butanoic acid
CID 84773889

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid (CID 84788564) is 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid is COc1cnc(C2(C(=O)O)CCCC2)nc1.
What is the InChIKey of 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is VTZAZRKTVOLORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-8-6-12-9(13-7-8)11(10(14)15)4-2-3-5-11/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid?
1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxypyrimidin-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84788564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).