5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid

C16H32N2O2 — CID 106806468

IUPAC5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CCC(C(C)(C)C)C1)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-16(17-5,14(19)20)9-7-10-18-11-8-13(12-18)15(2,3)4/h13,17H,6-12H2,1-5H3,(H,19,20)
InChIKeyHPQQJCHAZIURCP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.59
Rot. Bonds7

About 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid

5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid (PubChem CID 106806468) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
PubChem CID106806468
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid
SMILESCCC(CCCN1CCC(C(C)(C)C)C1)(NC)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-6-16(17-5,14(19)20)9-7-10-18-11-8-13(12-18)15(2,3)4/h13,17H,6-12H2,1-5H3,(H,19,20)
InChIKeyHPQQJCHAZIURCP-UHFFFAOYSA-N
XLogP2.59
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Tetramethyl proline
CID 153698764
Hexamethylornithin
CID 129634352
(2S,3S)-3-(2,2-Dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 131168330
1-Methyl-4-[2-(methylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 21341643
(2R)-1-[(4S)-4-amino-4-carboxybutanoyl]-2,3-ditert-butylpyrrolidine-2-carboxylic acid
CID 22866082
(2S,3S)-3-ethyl-2-methylpyrrolidine-2-carboxylic acid
CID 22872471
(2S,3S)-3-ethyl-2-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 22872472
H-DL-xiIle-OH.H-DL-Leu-OH.H-DL-Val-OH.H-DL-Ala-OH.H-Gly-OH.H-DL-Pro-OH
CID 23126095
(2R)-2-(4-aminobutyl)-3-methylpyrrolidine-2-carboxylic acid
CID 54039462
2,4,4-Trimethylpyrrolidine-2-carboxylic acid
CID 57680759
1-Methyl-2-propan-2-ylpyrrolidine-2-carboxylic acid
CID 57797510
2-Isopropyl-pyrrolidine-2-carboxylic acid
CID 57797551

Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The IUPAC name of 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid (CID 106806468) is 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid is CCC(CCCN1CCC(C(C)(C)C)C1)(NC)C(=O)O.
What is the InChIKey of 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
The InChIKey is HPQQJCHAZIURCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-16(17-5,14(19)20)9-7-10-18-11-8-13(12-18)15(2,3)4/h13,17H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid?
5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylpyrrolidin-1-yl)-2-ethyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106806468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).