4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid

C15H30N2O2 — CID 64726316

IUPAC4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N1CCCC1CC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-12(3)17-10-7-8-13(17)6-2/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyYZHNINZYHXMEGP-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.48
Rot. Bonds8

About 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid

4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 64726316) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
PubChem CID64726316
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CC(C)N1CCCC1CC)C(=O)O
InChIInChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-12(3)17-10-7-8-13(17)6-2/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeyYZHNINZYHXMEGP-UHFFFAOYSA-N
XLogP2.48
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-ethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 64727643
4-(2-ethylazepan-1-yl)-2-methyl-2-(propylamino)pentanamide
CID 104691662
2-(cyclopropylamino)-4-(2-ethylazepan-1-yl)-2-methylpentanoic acid
CID 104691548
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methyl-2-(propylamino)pentanoic acid
CID 82752804
4-[4-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 64703620
2-methyl-4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)pentanoic acid
CID 64710652
2-(2-ethylpiperidin-1-yl)propanoic acid
CID 20985444
4-[1-cyclopropylethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711737
3-(2-ethylpiperidin-1-yl)butanehydrazide
CID 63573262
N-tert-butyl-3-(2-ethylazepan-1-yl)butan-1-amine
CID 104692382
1-amino-4-(2-ethylpiperidin-1-yl)-2-methylpentan-2-ol
CID 64820664
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid (CID 64726316) is 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CC(C)N1CCCC1CC)C(=O)O.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is YZHNINZYHXMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-16-15(4,14(18)19)11-12(3)17-10-7-8-13(17)6-2/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid?
4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 64726316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).