2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid

C11H18N4O3 — CID 55148204

IUPAC2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O3/c1-9(2)5-14(6-11(17)18)10(16)3-4-15-8-12-7-13-15/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyGNBYUWXGBHPRRD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.24
Rot. Bonds7

About 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid

2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid (PubChem CID 55148204) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
PubChem CID55148204
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCn1cncn1
InChIInChI=1S/C11H18N4O3/c1-9(2)5-14(6-11(17)18)10(16)3-4-15-8-12-7-13-15/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyGNBYUWXGBHPRRD-UHFFFAOYSA-N
XLogP0.24
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 62334205
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
methyl 2-[propyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 55005668
ethyl 2-[propan-2-yl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetate
CID 54896492
2-[2-methylpropyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
CID 62033536
N-propyl-N-prop-2-ynyl-3-(1,2,4-triazol-1-yl)propanamide
CID 78970605
2-[2-methylpropyl-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]acetic acid
CID 62032074
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[2-methylpropyl-[3-methyl-4-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119193255

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid (CID 55148204) is 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCn1cncn1.
What is the InChIKey of 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid?
The InChIKey is GNBYUWXGBHPRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-9(2)5-14(6-11(17)18)10(16)3-4-15-8-12-7-13-15/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid?
2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[3-(1,2,4-triazol-1-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 55148204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).