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

C12H17N3O3 — CID 136958523

IUPAC2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-13-10(6-11(16)14-8)15(7-12(17)18)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyVIZPTPKYHMVLDY-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.91
Rot. Bonds4

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

2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958523) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958523
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(N(CC(=O)O)C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C12H17N3O3/c1-8-13-10(6-11(16)14-8)15(7-12(17)18)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyVIZPTPKYHMVLDY-UHFFFAOYSA-N
XLogP0.91
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958523) is 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Cc1nc(N(CC(=O)O)C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is VIZPTPKYHMVLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-13-10(6-11(16)14-8)15(7-12(17)18)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).