2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid

C11H17N3O4 — CID 43357762

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(CO)C(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-7-5-8(2)14(13-7)4-3-10(16)12-9(6-15)11(17)18/h5,9,15H,3-4,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyIOXKLKRQDMYZGA-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.55
Rot. Bonds6

About 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid

2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid (PubChem CID 43357762) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
PubChem CID43357762
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
SMILESCc1cc(C)n(CCC(=O)NC(CO)C(=O)O)n1
InChIInChI=1S/C11H17N3O4/c1-7-5-8(2)14(13-7)4-3-10(16)12-9(6-15)11(17)18/h5,9,15H,3-4,6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyIOXKLKRQDMYZGA-UHFFFAOYSA-N
XLogP-0.55
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
CID 62697672
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-1-phenylethyl)propanamide
CID 63184682
methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 80750940
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
tert-butyl (2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 80999522
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid (CID 43357762) is 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid is Cc1cc(C)n(CCC(=O)NC(CO)C(=O)O)n1.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid?
The InChIKey is IOXKLKRQDMYZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-7-5-8(2)14(13-7)4-3-10(16)12-9(6-15)11(17)18/h5,9,15H,3-4,6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid?
2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).