(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid

C10H12N4O6 — CID 28773372

IUPAC(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)2-1-5(9(18)19)13-7(16)4-3-12-10(20)14-8(4)17/h3,5H,1-2H2,(H2,11,15)(H,13,16)(H,18,19)(H2,12,14,17,20)/t5-/m0/s1
InChIKeyMLHADBOXZDNTES-YFKPBYRVSA-N
MW284.23 g/mol
LogP-2.49
Rot. Bonds6

About (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 28773372) has the molecular formula C10H12N4O6 and a molecular weight of 284.23 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid
PubChem CID28773372
Molecular FormulaC10H12N4O6
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Name(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)2-1-5(9(18)19)13-7(16)4-3-12-10(20)14-8(4)17/h3,5H,1-2H2,(H2,11,15)(H,13,16)(H,18,19)(H2,12,14,17,20)/t5-/m0/s1
InChIKeyMLHADBOXZDNTES-YFKPBYRVSA-N
XLogP-2.49
TPSA175.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

(S)-5-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)-5-oxopentanoic acid
CID 44413723
2-amino-3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoic acid
CID 253740
alpha-Glutamylthymine
CID 196474
2-(2-Aminopropanoylamino)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 58503448
2-Acetamido-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-oxopentanoic acid
CID 70667708
5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-formamido-5-oxopentanoic acid
CID 89374197
3-(2,6-Dihydroxypyrimidine-5-yl)-alanine
CID 11390010
3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(2,2,2-trifluoroacetamido)propanoic acid
CID 167718630
5-methyl-1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
CID 160916514
(2R)-2-[3-(2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]pentanedioic acid
CID 176133114
[1-carboxy-2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]azanium
CID 21597478
(2S)-5-amino-2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]pentanoic acid
CID 23241588

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid (CID 28773372) is (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is MLHADBOXZDNTES-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H12N4O6/c11-6(15)2-1-5(9(18)19)13-7(16)4-3-12-10(20)14-8(4)17/h3,5H,1-2H2,(H2,11,15)(H,13,16)(H,18,19)(H2,12,14,17,20)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 284.23 g/mol, XLogP of -2.49, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 28773372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).