5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid

C11H14N4O6 — CID 43358726

IUPAC5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H14N4O6/c12-7(16)2-1-6(10(19)20)14-8(17)3-5-4-9(18)15-11(21)13-5/h4,6H,1-3H2,(H2,12,16)(H,14,17)(H,19,20)(H2,13,15,18,21)
InChIKeyFZZSGYXLRRMOHH-UHFFFAOYSA-N
MW298.25 g/mol
LogP-2.56
Rot. Bonds7

About 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 43358726) has the molecular formula C11H14N4O6 and a molecular weight of 298.25 g/mol. Its IUPAC name is 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID43358726
Molecular FormulaC11H14N4O6
Molecular Weight298.25 g/mol
Exact Mass298.09
IUPAC Name5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C11H14N4O6/c12-7(16)2-1-6(10(19)20)14-8(17)3-5-4-9(18)15-11(21)13-5/h4,6H,1-3H2,(H2,12,16)(H,14,17)(H,19,20)(H2,13,15,18,21)
InChIKeyFZZSGYXLRRMOHH-UHFFFAOYSA-N
XLogP-2.56
TPSA175.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 175842797
5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 24710087
(2R)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 28214125
(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
CID 28214127
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methylpentanoic acid
CID 43170185
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-methylpentanoic acid
CID 43171244
4-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-oxobutanoic acid
CID 43171468
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43355714
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 43356116
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43469527
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43469863
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 43630807

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid (CID 43358726) is 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)Cc1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is FZZSGYXLRRMOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O6/c12-7(16)2-1-6(10(19)20)14-8(17)3-5-4-9(18)15-11(21)13-5/h4,6H,1-3H2,(H2,12,16)(H,14,17)(H,19,20)(H2,13,15,18,21).
What are the key properties of 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 298.25 g/mol, XLogP of -2.56, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43358726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).