4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid

C15H31N3O2 — CID 64704175

IUPAC4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(CC)C1CCN(C(C)CC(C)(NC)C(=O)O)C1
InChIInChI=1S/C15H31N3O2/c1-6-17(7-2)13-8-9-18(11-13)12(3)10-15(4,16-5)14(19)20/h12-13,16H,6-11H2,1-5H3,(H,19,20)
InChIKeyDATRODJPFMJKOS-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.24
Rot. Bonds8

About 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid

4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid (PubChem CID 64704175) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
PubChem CID64704175
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid
SMILESCCN(CC)C1CCN(C(C)CC(C)(NC)C(=O)O)C1
InChIInChI=1S/C15H31N3O2/c1-6-17(7-2)13-8-9-18(11-13)12(3)10-15(4,16-5)14(19)20/h12-13,16H,6-11H2,1-5H3,(H,19,20)
InChIKeyDATRODJPFMJKOS-UHFFFAOYSA-N
XLogP1.24
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
CID 79174927
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 64705569
4-(4-tert-butylpiperidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64704730
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
4-(azocan-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 64726747
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
3-[3-(diethylamino)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 79413831
4-[3-(diethylamino)pyrrolidin-1-yl]pentan-2-ol
CID 64721493
2-methyl-2-(methylamino)-4-[methyl-(1-methylpiperidin-4-yl)amino]pentanoic acid
CID 64725416
3-[3-(diethylamino)pyrrolidin-1-yl]-2-(ethylamino)-2-methylpropanoic acid
CID 63165732
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoic acid
CID 83221517

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid (CID 64704175) is 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid is CCN(CC)C1CCN(C(C)CC(C)(NC)C(=O)O)C1.
What is the InChIKey of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid?
The InChIKey is DATRODJPFMJKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-17(7-2)13-8-9-18(11-13)12(3)10-15(4,16-5)14(19)20/h12-13,16H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid?
4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid has a molecular weight of 285.43 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 64704175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).