3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid

C10H17N3O2 — CID 118871823

IUPAC3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
SMILESCn1ccc(C(C)(C)C(N)CC(=O)O)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,7(11)6-9(14)15)8-4-5-13(3)12-8/h4-5,7H,6,11H2,1-3H3,(H,14,15)
InChIKeyRNMJECWZPGPPIW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.50
Rot. Bonds4

About 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid

3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid (PubChem CID 118871823) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid.

Molecular Properties

Compound Name3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
PubChem CID118871823
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
SMILESCn1ccc(C(C)(C)C(N)CC(=O)O)n1
InChIInChI=1S/C10H17N3O2/c1-10(2,7(11)6-9(14)15)8-4-5-13(3)12-8/h4-5,7H,6,11H2,1-3H3,(H,14,15)
InChIKeyRNMJECWZPGPPIW-UHFFFAOYSA-N
XLogP0.50
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid?
The IUPAC name of 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid (CID 118871823) is 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid.
What is the SMILES notation for 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid?
The canonical SMILES for 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid is Cn1ccc(C(C)(C)C(N)CC(=O)O)n1.
What is the InChIKey of 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid?
The InChIKey is RNMJECWZPGPPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,7(11)6-9(14)15)8-4-5-13(3)12-8/h4-5,7H,6,11H2,1-3H3,(H,14,15).
What are the key properties of 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid?
3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid has a molecular weight of 211.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid is sourced from PubChem (CID 118871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).