(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid

C11H17N3O3 — CID 28788906

IUPAC(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8(2)6-9(11(16)17)13-10(15)7-14-5-3-4-12-14/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyQVNXWGLDKRPXDU-SECBINFHSA-N
MW239.28 g/mol
LogP0.50
Rot. Bonds6

About (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid (PubChem CID 28788906) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
PubChem CID28788906
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-8(2)6-9(11(16)17)13-10(15)7-14-5-3-4-12-14/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1
InChIKeyQVNXWGLDKRPXDU-SECBINFHSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid (CID 28788906) is (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)Cn1cccn1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The InChIKey is QVNXWGLDKRPXDU-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)6-9(11(16)17)13-10(15)7-14-5-3-4-12-14/h3-5,8-9H,6-7H2,1-2H3,(H,13,15)(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid has a molecular weight of 239.28 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 28788906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).