(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid

C9H14N6O4 — CID 107831031

IUPAC(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCn1ncnc1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-15-8(11-4-12-15)14-9(19)13-5(7(17)18)2-3-6(10)16/h4-5H,2-3H2,1H3,(H2,10,16)(H,17,18)(H2,11,12,13,14,19)/t5-/m1/s1
InChIKeyJXQMLVXSGFWMMX-RXMQYKEDSA-N
MW270.25 g/mol
LogP-1.34
Rot. Bonds6

About (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107831031) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107831031
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Name(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCn1ncnc1NC(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C9H14N6O4/c1-15-8(11-4-12-15)14-9(19)13-5(7(17)18)2-3-6(10)16/h4-5H,2-3H2,1H3,(H2,10,16)(H,17,18)(H2,11,12,13,14,19)/t5-/m1/s1
InChIKeyJXQMLVXSGFWMMX-RXMQYKEDSA-N
XLogP-1.34
TPSA152.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
CID 104686854
5-amino-5-oxo-2-(1,2,4-triazin-3-ylcarbamoylamino)pentanoic acid
CID 114388732
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
1-(1-hydroxy-4-methylpentan-2-yl)-3-(2-methyl-1,2,4-triazol-3-yl)urea
CID 75435258
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
5-amino-5-oxo-2-[(4-propan-2-yl-1,3-thiazol-2-yl)carbamoylamino]pentanoic acid
CID 61481097
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2S)-5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 80683623

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid (CID 107831031) is (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid is Cn1ncnc1NC(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is JXQMLVXSGFWMMX-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-15-8(11-4-12-15)14-9(19)13-5(7(17)18)2-3-6(10)16/h4-5H,2-3H2,1H3,(H2,10,16)(H,17,18)(H2,11,12,13,14,19)/t5-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 270.25 g/mol, XLogP of -1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107831031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).