(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid

C13H21N3O3 — CID 110836656

IUPAC(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1cc(CC(=O)N[C@H](CC(C)C)C(=O)O)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)5-11(13(18)19)14-12(17)7-10-6-9(3)15-16(10)4/h6,8,11H,5,7H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyRJJAQJKIYHJLHF-LLVKDONJSA-N
MW267.33 g/mol
LogP0.89
Rot. Bonds6

About (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid

(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid (PubChem CID 110836656) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
PubChem CID110836656
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid
SMILESCc1cc(CC(=O)N[C@H](CC(C)C)C(=O)O)n(C)n1
InChIInChI=1S/C13H21N3O3/c1-8(2)5-11(13(18)19)14-12(17)7-10-6-9(3)15-16(10)4/h6,8,11H,5,7H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyRJJAQJKIYHJLHF-LLVKDONJSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
(2R)-4-methyl-2-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]pentanoic acid
CID 78975678
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
(2S)-2-[[2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695239
2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 110836652
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
2-(2,5-dimethylpyrazol-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 110858132
N-(3,5-dimethylphenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110857445
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid (CID 110836656) is (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid is Cc1cc(CC(=O)N[C@H](CC(C)C)C(=O)O)n(C)n1.
What is the InChIKey of (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid?
The InChIKey is RJJAQJKIYHJLHF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-8(2)5-11(13(18)19)14-12(17)7-10-6-9(3)15-16(10)4/h6,8,11H,5,7H2,1-4H3,(H,14,17)(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid?
(2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2,5-dimethylpyrazol-3-yl)acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 110836656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).