(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid

C8H12N6O4 — CID 107830203

IUPAC(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C8H12N6O4/c9-4(15)2-1-3(7(17)18)11-6(16)5-12-8(10)14-13-5/h3H,1-2H2,(H2,9,15)(H,11,16)(H,17,18)(H3,10,12,13,14)/t3-/m1/s1
InChIKeyBYGYWBUWLKWACU-GSVOUGTGSA-N
MW256.22 g/mol
LogP-2.16
Rot. Bonds6

About (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830203) has the molecular formula C8H12N6O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830203
Molecular FormulaC8H12N6O4
Molecular Weight256.22 g/mol
Exact Mass256.09
IUPAC Name(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O
InChIInChI=1S/C8H12N6O4/c9-4(15)2-1-3(7(17)18)11-6(16)5-12-8(10)14-13-5/h3H,1-2H2,(H2,9,15)(H,11,16)(H,17,18)(H3,10,12,13,14)/t3-/m1/s1
InChIKeyBYGYWBUWLKWACU-GSVOUGTGSA-N
XLogP-2.16
TPSA177.08 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-2.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid with MolForge

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Related Compounds

5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
(2R)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927256
(2S,3S)-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 55115197
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
(2R)-5-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107830936
(2S)-5-amino-2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)amino]-5-oxopentanoic acid
CID 110835187
3-amino-N-(1-methoxypropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807690
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
CID 107830223

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid (CID 107830203) is (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)c1nc(N)n[nH]1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is BYGYWBUWLKWACU-GSVOUGTGSA-N. The full InChI is InChI=1S/C8H12N6O4/c9-4(15)2-1-3(7(17)18)11-6(16)5-12-8(10)14-13-5/h3H,1-2H2,(H2,9,15)(H,11,16)(H,17,18)(H3,10,12,13,14)/t3-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 256.22 g/mol, XLogP of -2.16, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).