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

C13H19N3O3 — CID 62697672

IUPAC2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
SMILESCc1cc(C)n(CCC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-8-7-9(2)16(15-8)6-5-11(17)14-12(13(18)19)10-3-4-10/h7,10,12H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyYZWYNRJNAPTSEP-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.87
Rot. Bonds6

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

2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid (PubChem CID 62697672) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
PubChem CID62697672
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid
SMILESCc1cc(C)n(CCC(=O)NC(C(=O)O)C2CC2)n1
InChIInChI=1S/C13H19N3O3/c1-8-7-9(2)16(15-8)6-5-11(17)14-12(13(18)19)10-3-4-10/h7,10,12H,3-6H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyYZWYNRJNAPTSEP-UHFFFAOYSA-N
XLogP0.87
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-hydroxypropanoic acid
CID 43357762
N-[(S)-cyclopropyl(phenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 31407290
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
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
3-(3,5-dimethylpyrazol-1-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19557611
3-(3,5-dimethylpyrazol-1-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43416849
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-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
3-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-3-methylbutanoic acid
CID 64670513

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid (CID 62697672) is 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid is Cc1cc(C)n(CCC(=O)NC(C(=O)O)C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid?
The InChIKey is YZWYNRJNAPTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-7-9(2)16(15-8)6-5-11(17)14-12(13(18)19)10-3-4-10/h7,10,12H,3-6H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 62697672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).