2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid

C15H29N3O3 — CID 63549343

IUPAC2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N1CCC(N(CC)CC)C1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-9-15(4,13(19)20)16-14(21)18-10-8-12(11-18)17(6-2)7-3/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyDSULLEYTRCLTJC-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.76
Rot. Bonds7

About 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid

2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid (PubChem CID 63549343) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
PubChem CID63549343
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
SMILESCCCC(C)(NC(=O)N1CCC(N(CC)CC)C1)C(=O)O
InChIInChI=1S/C15H29N3O3/c1-5-9-15(4,13(19)20)16-14(21)18-10-8-12(11-18)17(6-2)7-3/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20)
InChIKeyDSULLEYTRCLTJC-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
2-(azepane-1-carbonylamino)-2-methylpentanoic acid
CID 61188531
2-methyl-2-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 55139798
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001243
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
3-(diethylamino)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 115663003
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
CID 63164953
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
2-[[2-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 61409614
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-4-hydroxybutanoic acid
CID 63550411

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid?
The IUPAC name of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid (CID 63549343) is 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid is CCCC(C)(NC(=O)N1CCC(N(CC)CC)C1)C(=O)O.
What is the InChIKey of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid?
The InChIKey is DSULLEYTRCLTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-9-15(4,13(19)20)16-14(21)18-10-8-12(11-18)17(6-2)7-3/h12H,5-11H2,1-4H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid?
2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid is sourced from PubChem (CID 63549343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).