2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid

C14H23N3O3 — CID 65285915

IUPAC2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CCn1cccn1
InChIInChI=1S/C14H23N3O3/c1-11(14(19)20)5-3-6-12(2)16-13(18)7-10-17-9-4-8-15-17/h4,8-9,11-12H,3,5-7,10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOMILYLLUKOAHDD-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.67
Rot. Bonds9

About 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid

2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid (PubChem CID 65285915) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid.

Molecular Properties

Compound Name2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
PubChem CID65285915
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
SMILESCC(CCCC(C)C(=O)O)NC(=O)CCn1cccn1
InChIInChI=1S/C14H23N3O3/c1-11(14(19)20)5-3-6-12(2)16-13(18)7-10-17-9-4-8-15-17/h4,8-9,11-12H,3,5-7,10H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyOMILYLLUKOAHDD-UHFFFAOYSA-N
XLogP1.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 28788895
3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
4-methylsulfonyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43102610
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
N-[(2S)-1-(2-bromophenyl)propan-2-yl]-3-pyrazol-1-ylpropanamide
CID 97087813
6-[3-(ethylamino)propanoylamino]-2-methylheptanoic acid
CID 65286188
2-methyl-6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid
CID 65285659
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid?
The IUPAC name of 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid (CID 65285915) is 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid.
What is the SMILES notation for 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid?
The canonical SMILES for 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid is CC(CCCC(C)C(=O)O)NC(=O)CCn1cccn1.
What is the InChIKey of 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid?
The InChIKey is OMILYLLUKOAHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-11(14(19)20)5-3-6-12(2)16-13(18)7-10-17-9-4-8-15-17/h4,8-9,11-12H,3,5-7,10H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid?
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid is sourced from PubChem (CID 65285915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).