(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid

C8H10N4O5 — CID 28790333

IUPAC(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17)/t3-/m1/s1
InChIKeyRXAPNRRGVVWXCO-GSVOUGTGSA-N
MW242.19 g/mol
LogP-2.24
Rot. Bonds5

About (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (PubChem CID 28790333) has the molecular formula C8H10N4O5 and a molecular weight of 242.19 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
PubChem CID28790333
Molecular FormulaC8H10N4O5
Molecular Weight242.19 g/mol
Exact Mass242.07
IUPAC Name(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
SMILESNC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17)/t3-/m1/s1
InChIKeyRXAPNRRGVVWXCO-GSVOUGTGSA-N
XLogP-2.24
TPSA158.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid with MolForge

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Launch Full Analysis

Related Compounds

3-Amino-4-[[1-carboxy-3-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 58503442
3-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 43361027
(2R)-2-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 70215420
4-((2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)-4-oxobutanoic acid
CID 927495
4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
CID 24708139
(2R)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
CID 28210663
(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
CID 28210665
(2R)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 28773346
(2S)-4-amino-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4-oxobutanoic acid
CID 28773348
(2R)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789341
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789343
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 28789533

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid (CID 28790333) is (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is NC(=O)C[C@@H](NC(=O)c1c[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
The InChIKey is RXAPNRRGVVWXCO-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H10N4O5/c9-5(13)1-3(7(15)16)11-6(14)4-2-10-8(17)12-4/h2-3H,1H2,(H2,9,13)(H,11,14)(H,15,16)(H2,10,12,17)/t3-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid has a molecular weight of 242.19 g/mol, XLogP of -2.24, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 28790333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).