5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O3 — CID 82013036

IUPAC5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H24N2O3/c1-9(4-5-12(16)17)6-14-13(18)15-7-10(2)11(3)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHBODCQSNKCSJFD-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.78
Rot. Bonds5

About 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid

5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82013036) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82013036
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(C)C(C)C1
InChIInChI=1S/C13H24N2O3/c1-9(4-5-12(16)17)6-14-13(18)15-7-10(2)11(3)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyHBODCQSNKCSJFD-UHFFFAOYSA-N
XLogP1.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845
5-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 103357258
6-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-4-methylhexanoic acid
CID 114679610
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 82687889

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 82013036) is 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CC(C)C(C)C1.
What is the InChIKey of 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is HBODCQSNKCSJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(4-5-12(16)17)6-14-13(18)15-7-10(2)11(3)8-15/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid?
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82013036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).