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

C10H17N5O3 — CID 104686854

IUPAC2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)Nc1ncnn1C)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-7(8(16)17)4-3-5-11-10(18)14-9-12-6-13-15(9)2/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,11,12,13,14,18)
InChIKeyZYXRYPNPGBAVFY-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.44
Rot. Bonds6

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

2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid (PubChem CID 104686854) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
PubChem CID104686854
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid
SMILESCC(CCCNC(=O)Nc1ncnn1C)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-7(8(16)17)4-3-5-11-10(18)14-9-12-6-13-15(9)2/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,11,12,13,14,18)
InChIKeyZYXRYPNPGBAVFY-UHFFFAOYSA-N
XLogP0.44
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-5-(1H-1,2,4-triazol-1-yl)pentanoic acid
CID 61922766
5-[3-(1,2,4-Triazol-1-yl)propanoylamino]pentanoic acid
CID 62034111
2-[[3-(1,2,4-Triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 65218713
4-Methyl-2-[[3-(1,2,4-triazol-1-yl)propanoylamino]methyl]pentanoic acid
CID 80110682
5-[(2-Methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81582418
3-Methyl-5-[(2-methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81582759
3,3-Dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)amino]-5-oxopentanoic acid
CID 81583056
2-[[(2-Methyl-1,2,4-triazol-3-yl)carbamoylamino]methyl]pentanoic acid
CID 81584734
2-[[(2-Methyl-1,2,4-triazol-3-yl)carbamoylamino]methyl]butanoic acid
CID 81584735
2-Methyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 81584739
3-Ethyl-1-[(2-methyl-1,2,4-triazol-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81584818
4-[[(2-Methyl-1,2,4-triazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 81584823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid (CID 104686854) is 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid is CC(CCCNC(=O)Nc1ncnn1C)C(=O)O.
What is the InChIKey of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is ZYXRYPNPGBAVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7(8(16)17)4-3-5-11-10(18)14-9-12-6-13-15(9)2/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,11,12,13,14,18).
What are the key properties of 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid?
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 255.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 104686854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).