2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

C13H17N3O5 — CID 60825873

IUPAC2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C13H17N3O5/c17-10-5-8(14-13(21)15-10)6-11(18)16(7-12(19)20)9-3-1-2-4-9/h5,9H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21)
InChIKeyORDYVYFNGITPFK-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.54
Rot. Bonds5

About 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 60825873) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID60825873
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C1CCCC1
InChIInChI=1S/C13H17N3O5/c17-10-5-8(14-13(21)15-10)6-11(18)16(7-12(19)20)9-3-1-2-4-9/h5,9H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21)
InChIKeyORDYVYFNGITPFK-UHFFFAOYSA-N
XLogP-0.54
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
CID 54946078
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 110700040
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
2-[cyclopentyl-(2-pyridin-4-ylacetyl)amino]acetic acid
CID 60826593
2-[cyclopentyl-[2-(2-methylphenyl)acetyl]amino]acetic acid
CID 60827106
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 114951205
2-[(2-cyclohexylacetyl)-cyclopentylamino]acetic acid
CID 60826296
6-(2-oxobutyl)-1H-pyrimidine-2,4-dione
CID 83856785
2-[cyclopentyl-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]acetic acid
CID 60826612
2-[[2-(2-bromophenyl)acetyl]-cyclopropylamino]acetic acid
CID 119194508
2-[cyclobutyl-[2-(3-methoxy-4-methylphenyl)acetyl]amino]acetic acid
CID 146135252
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 60825873) is 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is ORDYVYFNGITPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-10-5-8(14-13(21)15-10)6-11(18)16(7-12(19)20)9-3-1-2-4-9/h5,9H,1-4,6-7H2,(H,19,20)(H2,14,15,17,21).
What are the key properties of 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 295.30 g/mol, XLogP of -0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60825873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).