tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate

C15H30N2O2 — CID 106616742

IUPACtert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
SMILESCCCCN(CC(=O)OC(C)(C)C)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-14(18)19-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyGQIMXILCOIQGAW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.18
Rot. Bonds7

About tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate

tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate (PubChem CID 106616742) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
PubChem CID106616742
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
SMILESCCCCN(CC(=O)OC(C)(C)C)CC1CCCN1
InChIInChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-14(18)19-15(2,3)4/h13,16H,5-12H2,1-4H3
InChIKeyGQIMXILCOIQGAW-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 106616926
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
CID 106616609
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 106616738
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106617961
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
tert-butyl 2-[butyl(2-hydroxyethyl)amino]acetate
CID 60689457
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate?
The IUPAC name of tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate (CID 106616742) is tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate?
The canonical SMILES for tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate is CCCCN(CC(=O)OC(C)(C)C)CC1CCCN1.
What is the InChIKey of tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate?
The InChIKey is GQIMXILCOIQGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-14(18)19-15(2,3)4/h13,16H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate?
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate has a molecular weight of 270.42 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 106616742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).