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

C15H30N2O2 — CID 63217207

IUPACethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CCCC1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-13(18)15(4,16)10-6-7-11-17-12-8-9-14(17,2)3/h5-12,16H2,1-4H3
InChIKeyJVXQMVFDPGFOID-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.31
Rot. Bonds7

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

ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate (PubChem CID 63217207) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
PubChem CID63217207
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CCCC1(C)C
InChIInChI=1S/C15H30N2O2/c1-5-19-13(18)15(4,16)10-6-7-11-17-12-8-9-14(17,2)3/h5-12,16H2,1-4H3
InChIKeyJVXQMVFDPGFOID-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The IUPAC name of ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate (CID 63217207) is ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate.
What is the SMILES notation for ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The canonical SMILES for ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate is CCOC(=O)C(C)(N)CCCCN1CCCC1(C)C.
What is the InChIKey of ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
The InChIKey is JVXQMVFDPGFOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-19-13(18)15(4,16)10-6-7-11-17-12-8-9-14(17,2)3/h5-12,16H2,1-4H3.
What are the key properties of ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate?
ethyl 2-amino-6-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate has a molecular weight of 270.42 g/mol, XLogP of 2.31, 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-(2,2-dimethylpyrrolidin-1-yl)-2-methylhexanoate is sourced from PubChem (CID 63217207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).