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

C11H20N2O3 — CID 3764656

IUPAC3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOCYROESYHWUPBP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds5

About 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid

3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid (PubChem CID 3764656) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
PubChem CID3764656
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid
SMILESCCC(C)C(NC(=O)C1CCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyOCYROESYHWUPBP-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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Related Compounds

Trofinetide
CID 11318905
Glycyl-L-leucine
CID 92843
Diprotin A
CID 94701
L-Alanyl-L-proline
CID 83525
L-Leucyl-L-alanine
CID 81721
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
N-Acetylisoleucine
CID 7036275
Ala-Ile
CID 7408079
Leu-Pro
CID 80817
(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate
CID 1548899
Glycylisoleucine
CID 259613

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The IUPAC name of 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid (CID 3764656) is 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid.
What is the SMILES notation for 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The canonical SMILES for 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid is CCC(C)C(NC(=O)C1CCCN1)C(=O)O.
What is the InChIKey of 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
The InChIKey is OCYROESYHWUPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-7(2)9(11(15)16)13-10(14)8-5-4-6-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid?
3-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 3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoic acid is sourced from PubChem (CID 3764656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).