methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate

C10H16N4O3 — CID 175927408

IUPACmethyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ncn[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(2)4-7(10(16)17-3)13-9(15)8-11-5-12-14-8/h5-7H,4H2,1-3H3,(H,13,15)(H,11,12,14)/t7-/m0/s1
InChIKeyRISQCRVXKLVVLO-ZETCQYMHSA-N
MW240.26 g/mol
LogP0.12
Rot. Bonds5

About methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate

methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate (PubChem CID 175927408) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
PubChem CID175927408
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)c1ncn[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(2)4-7(10(16)17-3)13-9(15)8-11-5-12-14-8/h5-7H,4H2,1-3H3,(H,13,15)(H,11,12,14)/t7-/m0/s1
InChIKeyRISQCRVXKLVVLO-ZETCQYMHSA-N
XLogP0.12
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-1,2,4-triazole-5-carbonylamino)butanoic acid
CID 63654157
N-(1-aminobutan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 65193517
3-hydroxy-2-(1H-1,2,4-triazole-5-carbonylamino)propanoic acid
CID 63648096
2-(1H-1,2,4-triazole-5-carbonylamino)pentanoic acid
CID 63654513
N-(1-methylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115747990
methyl 2-[(4-fluorobenzoyl)amino]-4-methylpentanoate
CID 2915918
1H-1,2,4-triazole-5-carbohydrazide
CID 2760675
methyl 4-methyl-2-(1,3-thiazole-2-carbonylamino)pentanoate
CID 110486192
N-(1-ethylsulfanylpropan-2-yl)-1H-1,2,4-triazole-5-carboxamide
CID 115749162
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800
methyl (2R)-2-[(6-chloropyridine-3-carbonyl)amino]-4-methylpentanoate
CID 51681559
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-4-methylpentanoate
CID 104741240

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate (CID 175927408) is methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)c1ncn[nH]1.
What is the InChIKey of methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate?
The InChIKey is RISQCRVXKLVVLO-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(2)4-7(10(16)17-3)13-9(15)8-11-5-12-14-8/h5-7H,4H2,1-3H3,(H,13,15)(H,11,12,14)/t7-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate?
methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate has a molecular weight of 240.26 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-(1H-1,2,4-triazole-5-carbonylamino)pentanoate is sourced from PubChem (CID 175927408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).