3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid

C11H17N3O3 — CID 79139899

IUPAC3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(2)14(6-4-11(16)17)10(15)7-9-3-5-12-13-9/h3,5,8H,4,6-7H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyJUOJKANDFFICQJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.66
Rot. Bonds6

About 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid

3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid (PubChem CID 79139899) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid
PubChem CID79139899
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1ccn[nH]1
InChIInChI=1S/C11H17N3O3/c1-8(2)14(6-4-11(16)17)10(15)7-9-3-5-12-13-9/h3,5,8H,4,6-7H2,1-2H3,(H,12,13)(H,16,17)
InChIKeyJUOJKANDFFICQJ-UHFFFAOYSA-N
XLogP0.66
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139795
3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207647
N-methyl-N-(2-propan-2-yloxyethyl)-2-(1H-pyrazol-5-yl)acetamide
CID 75427165
methyl 4-[methyl-[2-(1H-pyrazol-5-yl)acetyl]amino]butanoate
CID 79003930
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
3-[[2-(2,5-difluorophenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207310
N-methyl-2-(1H-pyrazol-5-yl)acetamide
CID 79004016
methyl 2-(1H-pyrazol-5-yl)acetate
CID 50989154
3-[3-(2-methylpyrazol-3-yl)propanoyl-propan-2-ylamino]propanoic acid
CID 120520177
(2R)-2-[[2-(1H-pyrazol-5-yl)acetyl]amino]hexanedioic acid
CID 107831323
3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid (CID 79139899) is 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)Cc1ccn[nH]1.
What is the InChIKey of 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid?
The InChIKey is JUOJKANDFFICQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)14(6-4-11(16)17)10(15)7-9-3-5-12-13-9/h3,5,8H,4,6-7H2,1-2H3,(H,12,13)(H,16,17).
What are the key properties of 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid?
3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 79139899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).