2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

C7H7N3O5 — CID 28773302

IUPAC2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7N3O5/c11-4(12)2-8-5(13)3-1-9-7(15)10-6(3)14/h1H,2H2,(H,8,13)(H,11,12)(H2,9,10,14,15)
InChIKeyHNEYLBPIDFRPFM-UHFFFAOYSA-N
MW213.15 g/mol
LogP-2.12
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid

2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 28773302) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
PubChem CID28773302
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H7N3O5/c11-4(12)2-8-5(13)3-1-9-7(15)10-6(3)14/h1H,2H2,(H,8,13)(H,11,12)(H2,9,10,14,15)
InChIKeyHNEYLBPIDFRPFM-UHFFFAOYSA-N
XLogP-2.12
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
(5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 21453656
(6-Hydroxy-1,3-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydropyrimidine-5-Carbonyl)glycine
CID 131700132
n3-Carboxymethylthymine
CID 15747554
2-(2,4-Dioxo-5-(trifluoromethyl)-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 54344909
2-[5-(Azidomethyl)-2,4-dioxopyrimidin-1-yl]acetic acid
CID 124003219
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258128
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795983
2-Fluoro-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
CID 81297496
Methane;2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetic acid
CID 134814307
2-(5-Carbamoyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 28819630
N-[(1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)methyl]Glycine
CID 15218503

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid (CID 28773302) is 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is HNEYLBPIDFRPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c11-4(12)2-8-5(13)3-1-9-7(15)10-6(3)14/h1H,2H2,(H,8,13)(H,11,12)(H2,9,10,14,15).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid?
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 213.15 g/mol, XLogP of -2.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 28773302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).