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

C9H10N4O6 — CID 28773348

IUPAC(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)12-6(15)3-2-11-9(19)13-7(3)16/h2,4H,1H2,(H2,10,14)(H,12,15)(H,17,18)(H2,11,13,16,19)/t4-/m0/s1
InChIKeyIPCQSYAPTUAVAY-BYPYZUCNSA-N
MW270.20 g/mol
LogP-2.88
Rot. Bonds5

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

(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 28773348) has the molecular formula C9H10N4O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
PubChem CID28773348
Molecular FormulaC9H10N4O6
Molecular Weight270.20 g/mol
Exact Mass270.06
IUPAC Name(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)12-6(15)3-2-11-9(19)13-7(3)16/h2,4H,1H2,(H2,10,14)(H,12,15)(H,17,18)(H2,11,13,16,19)/t4-/m0/s1
InChIKeyIPCQSYAPTUAVAY-BYPYZUCNSA-N
XLogP-2.88
TPSA175.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid (CID 28773348) is (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is IPCQSYAPTUAVAY-BYPYZUCNSA-N. The full InChI is InChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)12-6(15)3-2-11-9(19)13-7(3)16/h2,4H,1H2,(H2,10,14)(H,12,15)(H,17,18)(H2,11,13,16,19)/t4-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 270.20 g/mol, XLogP of -2.88, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 28773348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).