2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid

C12H22N2O3 — CID 102780024

IUPAC2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)C1NCCC1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-5-7-13-10(8)11(15)14-6-3-4-9(2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJESGMJAPYNWKCL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds6

About 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid

2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid (PubChem CID 102780024) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
PubChem CID102780024
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
SMILESCC(CCCNC(=O)C1NCCC1C)C(=O)O
InChIInChI=1S/C12H22N2O3/c1-8-5-7-13-10(8)11(15)14-6-3-4-9(2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyJESGMJAPYNWKCL-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Glycyl-L-leucine
CID 92843
Diprotin A
CID 94701
L-Alanyl-L-proline
CID 83525
L-leucyl-L-leucine
CID 76807
L-Alanyl-L-leucine
CID 96801
Ala-Ile
CID 7408079
Leu-Pro
CID 80817
Glycylisoleucine
CID 259613
IV
CID 435949
Ile-Pro
CID 444876
Val-Pro-Pro
CID 9818200
Ile-Leu
CID 7019083

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid (CID 102780024) is 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid is CC(CCCNC(=O)C1NCCC1C)C(=O)O.
What is the InChIKey of 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid?
The InChIKey is JESGMJAPYNWKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8-5-7-13-10(8)11(15)14-6-3-4-9(2)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid?
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 102780024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).