1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C11H13N3O5 — CID 113311878

IUPAC1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H13N3O5/c15-7-1-4-14(10(19)13-7)5-8(16)12-6-11(2-3-11)9(17)18/h1,4H,2-3,5-6H2,(H,12,16)(H,17,18)(H,13,15,19)
InChIKeyUJHUDICTRVKXPX-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.48
Rot. Bonds5

About 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113311878) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113311878
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C11H13N3O5/c15-7-1-4-14(10(19)13-7)5-8(16)12-6-11(2-3-11)9(17)18/h1,4H,2-3,5-6H2,(H,12,16)(H,17,18)(H,13,15,19)
InChIKeyUJHUDICTRVKXPX-UHFFFAOYSA-N
XLogP-1.48
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 113311878) is 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is O=C(Cn1ccc(=O)[nH]c1=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is UJHUDICTRVKXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7-1-4-14(10(19)13-7)5-8(16)12-6-11(2-3-11)9(17)18/h1,4H,2-3,5-6H2,(H,12,16)(H,17,18)(H,13,15,19).
What are the key properties of 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113311878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).