2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid

C10H17N5O3 — CID 55038206

IUPAC2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCc1nncn1C)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-7(9(16)17)5-14(2)10(18)11-4-8-13-12-6-15(8)3/h6-7H,4-5H2,1-3H3,(H,11,18)(H,16,17)
InChIKeyMJIYSNBQCCWCND-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.32
Rot. Bonds5

About 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 55038206) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID55038206
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCc1nncn1C)C(=O)O
InChIInChI=1S/C10H17N5O3/c1-7(9(16)17)5-14(2)10(18)11-4-8-13-12-6-15(8)3/h6-7H,4-5H2,1-3H3,(H,11,18)(H,16,17)
InChIKeyMJIYSNBQCCWCND-UHFFFAOYSA-N
XLogP-0.32
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 89765561
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CID 126666213
CID 126666213
CID 43524943
CID 43524943
CID 55038019
CID 55038019
CID 55038063
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CID 55038110
CID 55038110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid (CID 55038206) is 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCc1nncn1C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is MJIYSNBQCCWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-7(9(16)17)5-14(2)10(18)11-4-8-13-12-6-15(8)3/h6-7H,4-5H2,1-3H3,(H,11,18)(H,16,17).
What are the key properties of 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(4-methyl-1,2,4-triazol-3-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 55038206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).