2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid

C10H13N3O5 — CID 65219989

IUPAC2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18)
InChIKeyRDJPMFFJWOFRTB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.10
Rot. Bonds5

About 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid

2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid (PubChem CID 65219989) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
PubChem CID65219989
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18)
InChIKeyRDJPMFFJWOFRTB-UHFFFAOYSA-N
XLogP-1.10
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid with MolForge

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Related Compounds

2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
N-[2-(2-hydroxyethyl)pentyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 106115873
N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 107155229
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
CID 65223162
2,4-dioxo-N-[2-(propan-2-ylamino)ethyl]-1H-pyrimidine-6-carboxamide
CID 62659763
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
CID 114284029
(3R)-4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-phenylbutanoate
CID 7037985
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002899
N-[(4-methylphenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698232
2-[[(4-amino-3,5-dichlorobenzoyl)amino]methyl]butanoic acid
CID 82833378
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 129203750

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid (CID 65219989) is 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The InChIKey is RDJPMFFJWOFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18).
What are the key properties of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.10, 5 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-6-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).