ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate

C15H30N2O2 — CID 113418606

IUPACethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyCZWHYXREWKAECE-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.90
Rot. Bonds6

About ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate

ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate (PubChem CID 113418606) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
PubChem CID113418606
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
SMILESCCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC
InChIInChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3
InChIKeyCZWHYXREWKAECE-UHFFFAOYSA-N
XLogP1.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(4-tert-butylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63054691
ethyl 2-(methylamino)-4-(3-morpholin-4-ylpyrrolidin-1-yl)butanoate
CID 63171014
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
ethyl 2-(methylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoate
CID 63054024
ethyl 3-(3-tert-butylpyrrolidin-1-yl)-2-methyl-2-(methylamino)propanoate
CID 113418587
ethyl 4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butanoate
CID 63054388
ethyl 2-(methylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butanoate
CID 55145486
ethyl 4-(4,4-diethylpiperidin-1-yl)-2-(methylamino)butanoate
CID 63159042
ethyl 4-[3-(dimethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)butanoate
CID 63165810
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103502066
ethyl 2-(ethylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79163894
4-(4-tert-butylpiperidin-1-yl)-2-(cyclopropylamino)butanamide
CID 63054348

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The IUPAC name of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate (CID 113418606) is ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate.
What is the SMILES notation for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The canonical SMILES for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate is CCOC(=O)C(CCN1CCC(C(C)(C)C)C1)NC.
What is the InChIKey of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
The InChIKey is CZWHYXREWKAECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-19-14(18)13(16-5)8-10-17-9-7-12(11-17)15(2,3)4/h12-13,16H,6-11H2,1-5H3.
What are the key properties of ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate?
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate has a molecular weight of 270.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate is sourced from PubChem (CID 113418606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).