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

C11H13N3O5 — CID 54946078

IUPAC2-[cyclopropyl-[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)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-6(12-11(19)13-8)4-9(16)14(5-10(17)18)7-1-2-7/h3,7H,1-2,4-5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyRSTKEYMIVMBPRW-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.32
Rot. Bonds5

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

2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 54946078) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID54946078
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[cyclopropyl-[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)C1CC1
InChIInChI=1S/C11H13N3O5/c15-8-3-6(12-11(19)13-8)4-9(16)14(5-10(17)18)7-1-2-7/h3,7H,1-2,4-5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyRSTKEYMIVMBPRW-UHFFFAOYSA-N
XLogP-1.32
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 54946078) is 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[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)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is RSTKEYMIVMBPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-6(12-11(19)13-8)4-9(16)14(5-10(17)18)7-1-2-7/h3,7H,1-2,4-5H2,(H,17,18)(H2,12,13,15,19).
What are the key properties of 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54946078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).