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

C13H17N3O3 — CID 136958607

IUPAC1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C13H17N3O3/c17-10-7-9(14-11(15-10)8-3-4-8)16-13(12(18)19)5-1-2-6-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyCMIJLSUJZFLEKB-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.46
Rot. Bonds4

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

1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (PubChem CID 136958607) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
PubChem CID136958607
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCC1
InChIInChI=1S/C13H17N3O3/c17-10-7-9(14-11(15-10)8-3-4-8)16-13(12(18)19)5-1-2-6-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17)
InChIKeyCMIJLSUJZFLEKB-UHFFFAOYSA-N
XLogP1.46
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689827
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792241
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958440
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
2-cyclohexyl-2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958588
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958608
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid (CID 136958607) is 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]c(C3CC3)n2)CCCC1.
What is the InChIKey of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CMIJLSUJZFLEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-10-7-9(14-11(15-10)8-3-4-8)16-13(12(18)19)5-1-2-6-13/h7-8H,1-6H2,(H,18,19)(H2,14,15,16,17).
What are the key properties of 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid?
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 136958607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).