methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate

C15H30N2O2 — CID 106616926

IUPACmethyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
SMILESCCCCN(CC1CCCN1)CC(C)(C)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyBRODZSHJGSBNHV-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds8

About methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate

methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate (PubChem CID 106616926) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
PubChem CID106616926
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Namemethyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
SMILESCCCCN(CC1CCCN1)CC(C)(C)C(=O)OC
InChIInChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3
InChIKeyBRODZSHJGSBNHV-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106616742
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylacetamide
CID 106616577
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106616837
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-cyclopropylacetamide
CID 106616609
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616773
2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
CID 106617477
N-(2-tert-butylsulfanylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 114271377
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
1-butyl-3,3-dimethyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613384
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022

Frequently Asked Questions

What is the IUPAC name of methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate (CID 106616926) is methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate is CCCCN(CC1CCCN1)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate?
The InChIKey is BRODZSHJGSBNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-10-17(11-13-8-7-9-16-13)12-15(2,3)14(18)19-4/h13,16H,5-12H2,1-4H3.
What are the key properties of methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate?
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 106616926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).