2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid

C9H11N3O6 — CID 131700132

IUPAC2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFFGCBWXERBBRBA-UHFFFAOYSA-N
MW257.20 g/mol
LogP-2.40
Rot. Bonds3

About 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid

2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 131700132) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
PubChem CID131700132
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid
SMILESCn1c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14)
InChIKeyFFGCBWXERBBRBA-UHFFFAOYSA-N
XLogP-2.40
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-2.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

n3-Carboxymethylthymine
CID 15747554
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258128
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
{[6-Hydroxy-1,3-bis(3-methylbutyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 24830240
N-[(1,3-Dihexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 24830401
N-[(1-Cyclohexyl-3-hexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonyl]glycine
CID 24830404
N-{[6-Hydroxy-2,4-dioxo-1,3-bis(1-propylbutyl)-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 24831195
N-{[6-Hydroxy-1,3-bis(1-methylethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 24831832
2-(5,6-Dimethyl-2,4-dioxopyrimidin-1-yl)acetic acid
CID 53686387
N-{[6-Hydroxy-1,3-bis(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl]carbonyl}glycine
CID 59313198

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid (CID 131700132) is 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is Cn1c(O)c(C(=O)NCC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is FFGCBWXERBBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c1-11-7(16)5(6(15)10-3-4(13)14)8(17)12(2)9(11)18/h16H,3H2,1-2H3,(H,10,15)(H,13,14).
What are the key properties of 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid?
2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 257.20 g/mol, XLogP of -2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 131700132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).