2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

C7H9N3O4 — CID 66597927

IUPAC2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESNCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C7H9N3O4/c8-3-10-6(13)4(1-5(11)12)2-9-7(10)14/h2H,1,3,8H2,(H,9,14)(H,11,12)
InChIKeyNWDNBCSLHYXDHS-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.92
Rot. Bonds3

About 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid

2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (PubChem CID 66597927) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
PubChem CID66597927
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid
SMILESNCn1c(=O)[nH]cc(CC(=O)O)c1=O
InChIInChI=1S/C7H9N3O4/c8-3-10-6(13)4(1-5(11)12)2-9-7(10)14/h2H,1,3,8H2,(H,9,14)(H,11,12)
InChIKeyNWDNBCSLHYXDHS-UHFFFAOYSA-N
XLogP-1.92
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The IUPAC name of 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid (CID 66597927) is 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The canonical SMILES for 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is NCn1c(=O)[nH]cc(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
The InChIKey is NWDNBCSLHYXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-3-10-6(13)4(1-5(11)12)2-9-7(10)14/h2H,1,3,8H2,(H,9,14)(H,11,12).
What are the key properties of 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid?
2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetic acid is sourced from PubChem (CID 66597927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).