2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid

C11H18N4O3 — CID 76897580

IUPAC2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C)C(N)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)9(12)10(18)14-7-4-13-15(5-7)6-8(16)17/h4-5,9H,6,12H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyFIAJUXSZQBZUEH-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.28
Rot. Bonds4

About 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 76897580) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
PubChem CID76897580
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(C)(C)C(N)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H18N4O3/c1-11(2,3)9(12)10(18)14-7-4-13-15(5-7)6-8(16)17/h4-5,9H,6,12H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyFIAJUXSZQBZUEH-UHFFFAOYSA-N
XLogP0.28
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 113416289
(2S)-2-amino-N-[1-[2-(2-methoxyethylamino)-2-oxoethyl]pyrazol-4-yl]-3,3-dimethylbutanamide
CID 119800898
2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
CID 103513201
2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204
(2S)-2-amino-3,3-dimethyl-N-(1-phenylpyrazol-4-yl)butanamide
CID 119753020
2-[4-(4-aminobutanoylamino)pyrazol-1-yl]acetic acid
CID 61285548
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
2-[4-(3,5,5-trimethylhexanoylamino)pyrazol-1-yl]acetic acid
CID 61018088
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 61017978

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid (CID 76897580) is 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid is CC(C)(C)C(N)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is FIAJUXSZQBZUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-11(2,3)9(12)10(18)14-7-4-13-15(5-7)6-8(16)17/h4-5,9H,6,12H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 254.29 g/mol, XLogP of 0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 76897580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).