ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate

C15H30N2O3 — CID 64581948

IUPACethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CCC(COC)C1
InChIInChI=1S/C15H30N2O3/c1-4-20-14(18)15(2,16)8-5-6-9-17-10-7-13(11-17)12-19-3/h13H,4-12,16H2,1-3H3
InChIKeyQHQPUOGTDNSDBR-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.41
Rot. Bonds9

About ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate

ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate (PubChem CID 64581948) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate.

Molecular Properties

Compound Nameethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
PubChem CID64581948
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
SMILESCCOC(=O)C(C)(N)CCCCN1CCC(COC)C1
InChIInChI=1S/C15H30N2O3/c1-4-20-14(18)15(2,16)8-5-6-9-17-10-7-13(11-17)12-19-3/h13H,4-12,16H2,1-3H3
InChIKeyQHQPUOGTDNSDBR-UHFFFAOYSA-N
XLogP1.41
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[4-(methoxymethyl)piperidin-1-yl]-2-methylhexanoic acid
CID 63972004
2-amino-4-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylbutanoic acid
CID 64581345
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163910
6-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylhexanimidamide
CID 106712150
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
methyl 2-amino-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbutanoate
CID 63971410
ethyl 3-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanoate
CID 64582135
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanoate
CID 64583750
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-2-(methylamino)pentanamide
CID 64583347
2-(ethylamino)-5-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpentanoic acid
CID 64582742
ethyl 2-amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79175280
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate?
The IUPAC name of ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate (CID 64581948) is ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate.
What is the SMILES notation for ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate?
The canonical SMILES for ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate is CCOC(=O)C(C)(N)CCCCN1CCC(COC)C1.
What is the InChIKey of ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate?
The InChIKey is QHQPUOGTDNSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-4-20-14(18)15(2,16)8-5-6-9-17-10-7-13(11-17)12-19-3/h13H,4-12,16H2,1-3H3.
What are the key properties of ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate?
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate has a molecular weight of 286.42 g/mol, XLogP of 1.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate is sourced from PubChem (CID 64581948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).