5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

C15H30N2O2 — CID 113418654

IUPAC5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC1CCN(CCCC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-5-13-7-10-17(11-13)9-6-8-15(4,14(18)19)16-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeySYQJFSALZGKXJI-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.34
Rot. Bonds8

About 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 113418654) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID113418654
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCCC1CCN(CCCC(C)(NC(C)C)C(=O)O)C1
InChIInChI=1S/C15H30N2O2/c1-5-13-7-10-17(11-13)9-6-8-15(4,14(18)19)16-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19)
InChIKeySYQJFSALZGKXJI-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)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-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
2-ethyl-5-(3-ethylpyrrolidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809851
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104960236
methyl 3-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 113418645
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(propan-2-ylamino)butanoic acid
CID 79163904
5-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104691702
4-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 106588596
5-(3-ethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64797909
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63635256
2-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)hexanoic acid
CID 62974040
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 113418654) is 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is CCC1CCN(CCCC(C)(NC(C)C)C(=O)O)C1.
What is the InChIKey of 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is SYQJFSALZGKXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-13-7-10-17(11-13)9-6-8-15(4,14(18)19)16-12(2)3/h12-13,16H,5-11H2,1-4H3,(H,18,19).
What are the key properties of 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 270.42 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 113418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).