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

C8H11N3O4 — CID 142239879

IUPAC2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCCn1c(=O)[nH]cc(NCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-2-11-7(14)5(3-10-8(11)15)9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13)
InChIKeyZQBREVUZPGNDEN-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.95
Rot. Bonds4

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

2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (PubChem CID 142239879) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
PubChem CID142239879
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid
SMILESCCn1c(=O)[nH]cc(NCC(=O)O)c1=O
InChIInChI=1S/C8H11N3O4/c1-2-11-7(14)5(3-10-8(11)15)9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13)
InChIKeyZQBREVUZPGNDEN-UHFFFAOYSA-N
XLogP-0.95
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[Bis(2-hydroxyethyl)amino]pyrimidine-2,4(1h,3h)-dione
CID 241440
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]glycine
CID 1202229
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
2-[5-[Bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]acetic acid
CID 10892265
Orotyl-glycyl-glycine
CID 12921164
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
5-[(2-hydroxyethyl)(methyl)amino]pyrimidine-2,4(1H,3H)-dione
CID 7373407
L-alanyl-2-(5-fluorouracil-1-yl)-L-glycine
CID 510391
Methyl 2-(5-amino-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 63799383

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid (CID 142239879) is 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is CCn1c(=O)[nH]cc(NCC(=O)O)c1=O.
What is the InChIKey of 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
The InChIKey is ZQBREVUZPGNDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-2-11-7(14)5(3-10-8(11)15)9-4-6(12)13/h3,9H,2,4H2,1H3,(H,10,15)(H,12,13).
What are the key properties of 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid?
2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid has a molecular weight of 213.19 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 142239879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).