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

C13H17N3O5 — CID 64671426

IUPAC2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C13H17N3O5/c17-9-5-8(14-12(21)15-9)6-10(18)16-13(7-11(19)20)3-1-2-4-13/h5H,1-4,6-7H2,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyLRRHGCMDPZRECM-UHFFFAOYSA-N
MW295.29 g/mol
LogP-0.49
Rot. Bonds5

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

2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid (PubChem CID 64671426) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid
PubChem CID64671426
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CCCC1
InChIInChI=1S/C13H17N3O5/c17-9-5-8(14-12(21)15-9)6-10(18)16-13(7-11(19)20)3-1-2-4-13/h5H,1-4,6-7H2,(H,16,18)(H,19,20)(H2,14,15,17,21)
InChIKeyLRRHGCMDPZRECM-UHFFFAOYSA-N
XLogP-0.49
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid (CID 64671426) is 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)Cc2cc(=O)[nH]c(=O)[nH]2)CCCC1.
What is the InChIKey of 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid?
The InChIKey is LRRHGCMDPZRECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-9-5-8(14-12(21)15-9)6-10(18)16-13(7-11(19)20)3-1-2-4-13/h5H,1-4,6-7H2,(H,16,18)(H,19,20)(H2,14,15,17,21).
What are the key properties of 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid has a molecular weight of 295.29 g/mol, XLogP of -0.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64671426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).