4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid

C11H20N2O3 — CID 3527720

IUPAC4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZKQOUHVVXABNDG-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds5

About 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid

4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid (PubChem CID 3527720) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
PubChem CID3527720
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
SMILESCC(C)CC(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyZKQOUHVVXABNDG-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The IUPAC name of 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid (CID 3527720) is 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid is CC(C)CC(NC(=O)C1CCCN1)C(=O)O.
What is the InChIKey of 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The InChIKey is ZKQOUHVVXABNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 3527720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).