1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

C11H15N3O3 — CID 136958608

IUPAC1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDKAAUEKKAVHDMC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.89
Rot. Bonds3

About 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid

1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136958608) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136958608
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESCc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDKAAUEKKAVHDMC-UHFFFAOYSA-N
XLogP0.89
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958441
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958467
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958468
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958606
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958607
1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958609
1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958611
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958612
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958613
1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cycloheptane-1-carboxylic acid
CID 136958617
1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cycloheptane-1-carboxylic acid
CID 136958620

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136958608) is 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is Cc1nc(NC2(C(=O)O)CCCC2)cc(=O)[nH]1.
What is the InChIKey of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DKAAUEKKAVHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-12-8(6-9(15)13-7)14-11(10(16)17)4-2-3-5-11/h6H,2-5H2,1H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136958608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).