2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid

C13H21N3O3 — CID 99822214

IUPAC2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11(4)16-10(3)7-9(2)14-16/h7,11H,5-6,8H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyAMTUKLWPRHPZOT-LLVKDONJSA-N
MW267.33 g/mol
LogP1.38
Rot. Bonds6

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

2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid (PubChem CID 99822214) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid
PubChem CID99822214
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)[C@@H](C)n1nc(C)cc1C
InChIInChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11(4)16-10(3)7-9(2)14-16/h7,11H,5-6,8H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyAMTUKLWPRHPZOT-LLVKDONJSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid (CID 99822214) is 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)[C@@H](C)n1nc(C)cc1C.
What is the InChIKey of 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid?
The InChIKey is AMTUKLWPRHPZOT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-6-15(8-12(17)18)13(19)11(4)16-10(3)7-9(2)14-16/h7,11H,5-6,8H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid?
2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propanoyl]-propylamino]acetic acid is sourced from PubChem (CID 99822214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).