2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid

C14H23N3O3 — CID 63072604

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C)n(CCC(=O)N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)8-16(9-14(19)20)13(18)5-6-17-12(4)7-11(3)15-17/h7,10H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyVDFPLQVRSHRWKE-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.46
Rot. Bonds7

About 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid

2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid (PubChem CID 63072604) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
PubChem CID63072604
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
SMILESCc1cc(C)n(CCC(=O)N(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)8-16(9-14(19)20)13(18)5-6-17-12(4)7-11(3)15-17/h7,10H,5-6,8-9H2,1-4H3,(H,19,20)
InChIKeyVDFPLQVRSHRWKE-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid (CID 63072604) is 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid is Cc1cc(C)n(CCC(=O)N(CC(=O)O)CC(C)C)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid?
The InChIKey is VDFPLQVRSHRWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)8-16(9-14(19)20)13(18)5-6-17-12(4)7-11(3)15-17/h7,10H,5-6,8-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid?
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63072604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).