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

C10H16N4O3 — CID 113416289

IUPAC2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(N)C(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O3/c1-6(7(2)11)10(17)13-8-3-12-14(4-8)5-9(15)16/h3-4,6-7H,5,11H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMAKFIYBXULOGJS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.11
Rot. Bonds5

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

2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 113416289) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
PubChem CID113416289
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid
SMILESCC(N)C(C)C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C10H16N4O3/c1-6(7(2)11)10(17)13-8-3-12-14(4-8)5-9(15)16/h3-4,6-7H,5,11H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyMAKFIYBXULOGJS-UHFFFAOYSA-N
XLogP-0.11
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(2-amino-3,3-dimethylbutanoyl)amino]pyrazol-1-yl]acetic acid
CID 76897580
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CID 61285745
2-[4-[(2,2-difluoroacetyl)amino]pyrazol-1-yl]acetic acid
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2-[4-(2-acetamidopropanoylamino)pyrazol-1-yl]acetic acid
CID 61018489
2-[4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]pyrazol-1-yl]acetic acid
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2-[4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]pyrazol-1-yl]acetic acid
CID 107471894
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
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2-[4-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]pyrazol-1-yl]acetic acid
CID 102907100
2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-bromopropanamide
CID 107903728
2-[4-[[methyl(2-methylpropyl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 61195310
2-[4-[3-(ethylamino)butanoylamino]pyrazol-1-yl]acetic acid
CID 55121256

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid (CID 113416289) is 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid is CC(N)C(C)C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is MAKFIYBXULOGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(7(2)11)10(17)13-8-3-12-14(4-8)5-9(15)16/h3-4,6-7H,5,11H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 240.26 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-2-methylbutanoyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 113416289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).