2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid

C10H11N3O5 — CID 54945947

IUPAC2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H11N3O5/c14-7-3-6(11-10(18)12-7)9(17)13(4-8(15)16)5-1-2-5/h3,5H,1-2,4H2,(H,15,16)(H2,11,12,14,18)
InChIKeyCPACLBHXUJFABI-UHFFFAOYSA-N
MW253.21 g/mol
LogP-1.25
Rot. Bonds4

About 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid

2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 54945947) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID54945947
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H11N3O5/c14-7-3-6(11-10(18)12-7)9(17)13(4-8(15)16)5-1-2-5/h3,5H,1-2,4H2,(H,15,16)(H2,11,12,14,18)
InChIKeyCPACLBHXUJFABI-UHFFFAOYSA-N
XLogP-1.25
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid (CID 54945947) is 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is O=C(O)CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is CPACLBHXUJFABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O5/c14-7-3-6(11-10(18)12-7)9(17)13(4-8(15)16)5-1-2-5/h3,5H,1-2,4H2,(H,15,16)(H2,11,12,14,18).
What are the key properties of 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid?
2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 253.21 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 54945947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).