5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid

C16H32N2O2 — CID 106806409

IUPAC5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-10-17-16(6-2,14(19)20)8-7-11-18-12-9-15(3,4)13-18/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeySFARSJXMKWDAPQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds9

About 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid

5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid (PubChem CID 106806409) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
PubChem CID106806409
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
SMILESCCCNC(CC)(CCCN1CCC(C)(C)C1)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-10-17-16(6-2,14(19)20)8-7-11-18-12-9-15(3,4)13-18/h17H,5-13H2,1-4H3,(H,19,20)
InChIKeySFARSJXMKWDAPQ-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(ethylamino)-5-(3-methoxy-3-methylpiperidin-1-yl)pentanoic acid
CID 107394741
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)butanoic acid
CID 65282090
5-(2,3-dimethylpiperidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid
CID 106806133
6-(4,4-dimethylpiperidin-1-yl)-2,2-dimethylhexanoic acid
CID 106714030
2-(cyclopropylamino)-5-(2,2-dimethylmorpholin-4-yl)-2-ethylpentanoic acid
CID 106805862
5-(4,4-dimethylazepan-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 65286793
5-(4,4-dimethylazepan-1-yl)-2-(ethylamino)-2-methylpentanoic acid
CID 65281659
5-[4-(dimethylamino)piperidin-1-yl]-2-ethyl-2-(ethylamino)pentanoic acid
CID 106805830
2-ethyl-5-(4-iodopyrazol-1-yl)-2-(propylamino)pentanoic acid
CID 106806671
5-[3-(dimethylamino)propyl-methylamino]-2-ethyl-2-(propylamino)pentanoic acid
CID 106806270
5-(azepan-1-yl)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106805653

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid (CID 106806409) is 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid is CCCNC(CC)(CCCN1CCC(C)(C)C1)C(=O)O.
What is the InChIKey of 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
The InChIKey is SFARSJXMKWDAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-10-17-16(6-2,14(19)20)8-7-11-18-12-9-15(3,4)13-18/h17H,5-13H2,1-4H3,(H,19,20).
What are the key properties of 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid?
5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylpyrrolidin-1-yl)-2-ethyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 106806409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).