2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

C12H15N3O5 — CID 60826118

IUPAC2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCn1c(=O)ccn(CC(=O)N(CC(=O)O)C2CC2)c1=O
InChIInChI=1S/C12H15N3O5/c1-13-9(16)4-5-14(12(13)20)6-10(17)15(7-11(18)19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyOEMREHRFWUCSQZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.38
Rot. Bonds5

About 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid

2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 60826118) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID60826118
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCn1c(=O)ccn(CC(=O)N(CC(=O)O)C2CC2)c1=O
InChIInChI=1S/C12H15N3O5/c1-13-9(16)4-5-14(12(13)20)6-10(17)15(7-11(18)19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyOEMREHRFWUCSQZ-UHFFFAOYSA-N
XLogP-1.38
TPSA101.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 60826118) is 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is Cn1c(=O)ccn(CC(=O)N(CC(=O)O)C2CC2)c1=O.
What is the InChIKey of 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is OEMREHRFWUCSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-13-9(16)4-5-14(12(13)20)6-10(17)15(7-11(18)19)8-2-3-8/h4-5,8H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 281.27 g/mol, XLogP of -1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 60826118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).