ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate

C15H30N2O2 — CID 79184776

IUPACethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CC(C)C(C)C1
InChIInChI=1S/C15H30N2O2/c1-5-19-14(18)15(4,16)8-6-7-9-17-10-12(2)13(3)11-17/h12-13H,5-11,16H2,1-4H3
InChIKeyCBLSXBCCZMANQH-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.03
Rot. Bonds7

About ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate

ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate (PubChem CID 79184776) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
PubChem CID79184776
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CC(C)C(C)C1
InChIInChI=1S/C15H30N2O2/c1-5-19-14(18)15(4,16)8-6-7-9-17-10-12(2)13(3)11-17/h12-13H,5-11,16H2,1-4H3
InChIKeyCBLSXBCCZMANQH-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-(3,4-dimethylpyrrolidin-1-yl)-2-(ethylamino)-2-methylhexanoate
CID 79177873
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163910
ethyl (2R)-2-amino-2-methyltridecanoate
CID 125497893
methyl 2-amino-5-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpentanoate
CID 81474926
ethyl (2S)-2-amino-2-methyloctanoate;hydrochloride
CID 11817243
ethyl 2-amino-2-methyl-6-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)hexanoate
CID 102886125
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-methylpropanoate
CID 81474841
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 63217207
ethyl 2-amino-2-methyl-4-(4-methylazepan-1-yl)butanoate
CID 55248054
ethyl 2-amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79175280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The IUPAC name of ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate (CID 79184776) is ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate.
What is the SMILES notation for ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The canonical SMILES for ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate is CCOC(=O)C(C)(N)CCCCN1CC(C)C(C)C1.
What is the InChIKey of ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The InChIKey is CBLSXBCCZMANQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-19-14(18)15(4,16)8-6-7-9-17-10-12(2)13(3)11-17/h12-13H,5-11,16H2,1-4H3.
What are the key properties of ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate has a molecular weight of 270.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate is sourced from PubChem (CID 79184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).