2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid

C12H17N3O5 — CID 65223162

IUPAC2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-2-3-7(11(18)19)6-13-9(16)4-8-5-10(17)15-12(20)14-8/h5,7H,2-4,6H2,1H3,(H,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyPVLXBZFYEAOSIB-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.78
Rot. Bonds7

About 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid

2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid (PubChem CID 65223162) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
PubChem CID65223162
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-2-3-7(11(18)19)6-13-9(16)4-8-5-10(17)15-12(20)14-8/h5,7H,2-4,6H2,1H3,(H,13,16)(H,18,19)(H2,14,15,17,20)
InChIKeyPVLXBZFYEAOSIB-UHFFFAOYSA-N
XLogP-0.78
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid with MolForge

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Related Compounds

2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218519
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
CID 65219989
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 61151688
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307202
2-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]butanoic acid
CID 65219647
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
2-[[(2-methoxyacetyl)amino]methyl]pentanoic acid
CID 65218680

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid (CID 65223162) is 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid?
The InChIKey is PVLXBZFYEAOSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-2-3-7(11(18)19)6-13-9(16)4-8-5-10(17)15-12(20)14-8/h5,7H,2-4,6H2,1H3,(H,13,16)(H,18,19)(H2,14,15,17,20).
What are the key properties of 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid?
2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65223162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).