3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid

C13H21N3O4 — CID 43353725

IUPAC3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H21N3O4/c1-7-10(8(2)16(4)15-7)5-6-11(18)14-12(9(3)17)13(19)20/h9,12,17H,5-6H2,1-4H3,(H,14,18)(H,19,20)
InChIKeyYWFKGODLUXGFAJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP-0.08
Rot. Bonds6

About 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid

3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid (PubChem CID 43353725) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
PubChem CID43353725
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
SMILESCc1nn(C)c(C)c1CCC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C13H21N3O4/c1-7-10(8(2)16(4)15-7)5-6-11(18)14-12(9(3)17)13(19)20/h9,12,17H,5-6H2,1-4H3,(H,14,18)(H,19,20)
InChIKeyYWFKGODLUXGFAJ-UHFFFAOYSA-N
XLogP-0.08
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
N-(6-hydroxy-6-methylheptan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131933821
N-(2-methylpropoxy)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 115409753
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
N-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94815263
N-(4-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 66106470
N-[(4-fluorophenyl)-phenylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134035164

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid (CID 43353725) is 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid is Cc1nn(C)c(C)c1CCC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid?
The InChIKey is YWFKGODLUXGFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c1-7-10(8(2)16(4)15-7)5-6-11(18)14-12(9(3)17)13(19)20/h9,12,17H,5-6H2,1-4H3,(H,14,18)(H,19,20).
What are the key properties of 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid?
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid has a molecular weight of 283.33 g/mol, XLogP of -0.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 43353725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).