2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid

C17H19N3O6 — CID 24831663

IUPAC2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCn1c(=O)c(C(=O)NCC(=O)O)c(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H19N3O6/c1-2-8-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)10-11-6-4-3-5-7-11/h3-7,25H,2,8-10H2,1H3,(H,18,23)(H,21,22)
InChIKeyUJVKHVXGZQHCTC-UHFFFAOYSA-N
MW361.35 g/mol
LogP-0.01
Rot. Bonds7

About 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid

2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid (PubChem CID 24831663) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
PubChem CID24831663
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
SMILESCCCn1c(=O)c(C(=O)NCC(=O)O)c(O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H19N3O6/c1-2-8-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)10-11-6-4-3-5-7-11/h3-7,25H,2,8-10H2,1H3,(H,18,23)(H,21,22)
InChIKeyUJVKHVXGZQHCTC-UHFFFAOYSA-N
XLogP-0.01
TPSA130.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid with MolForge

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Related Compounds

2-[[1-benzyl-4-hydroxy-3-[(3-methoxyphenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831505
2-[[1-benzyl-4-hydroxy-3-[(3-isocyanophenyl)methyl]-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 59313200
2-[[1-[(4-tert-butylphenyl)methyl]-6-hydroxy-2,4-dioxo-3-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 24832001
2-[[1-[(2-bromophenyl)methyl]-3-tert-butyl-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24831833
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
2-[(1-benzyl-4-hydroxy-2-oxo-6-propoxyquinoline-3-carbonyl)amino]acetic acid
CID 143432319
2-[(7-benzyl-4-hydroxy-6-oxothieno[2,3-b]pyridine-5-carbonyl)amino]acetic acid
CID 54741193
2-[[1-benzyl-4-hydroxy-6-oxo-2-(2-phenylphenyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 135929042
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
CID 122606857
2-[[1-benzyl-2-(2,6-dichlorophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928996
2-[(2-benzyl-5-hydroxy-6-methyl-3-oxopyridazine-4-carbonyl)amino]acetic acid
CID 54749146
5,6-diamino-1-benzyl-3-propylpyrimidine-2,4-dione
CID 11254336

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid (CID 24831663) is 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid is CCCn1c(=O)c(C(=O)NCC(=O)O)c(O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid?
The InChIKey is UJVKHVXGZQHCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-2-8-19-15(24)13(14(23)18-9-12(21)22)16(25)20(17(19)26)10-11-6-4-3-5-7-11/h3-7,25H,2,8-10H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid?
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid has a molecular weight of 361.35 g/mol, XLogP of -0.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 24831663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).