2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid

C15H29N3O2 — CID 64705569

IUPAC2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-12(10-15(2,16-3)14(19)20)18-9-6-13(11-18)17-7-4-5-8-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyHPQXBHKFTYLKHW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.00
Rot. Bonds6

About 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid

2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid (PubChem CID 64705569) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
PubChem CID64705569
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-12(10-15(2,16-3)14(19)20)18-9-6-13(11-18)17-7-4-5-8-17/h12-13,16H,4-11H2,1-3H3,(H,19,20)
InChIKeyHPQXBHKFTYLKHW-UHFFFAOYSA-N
XLogP1.00
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 79916085
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
CID 64704175
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64728323
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 63170702
2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725330
2-methyl-2-(methylamino)-4-(3-phenylpyrrolidin-1-yl)pentanoic acid
CID 64702739
2-methyl-2-(methylamino)-4-(4-propylazepan-1-yl)pentanoic acid
CID 64704032
methyl 3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoate
CID 55159557
4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanehydrazide
CID 63584460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid (CID 64705569) is 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid is CNC(C)(CC(C)N1CCC(N2CCCC2)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is HPQXBHKFTYLKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(10-15(2,16-3)14(19)20)18-9-6-13(11-18)17-7-4-5-8-17/h12-13,16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid?
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 283.42 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 64705569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).