ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate

C14H28N2O3 — CID 106617720

IUPACethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCOC)CC1CCCN1
InChIInChI=1S/C14H28N2O3/c1-4-13(14(17)19-5-2)16(9-10-18-3)11-12-7-6-8-15-12/h12-13,15H,4-11H2,1-3H3
InChIKeyNRLZTJDMISCDOE-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds9

About ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate

ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate (PubChem CID 106617720) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
PubChem CID106617720
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
SMILESCCOC(=O)C(CC)N(CCOC)CC1CCCN1
InChIInChI=1S/C14H28N2O3/c1-4-13(14(17)19-5-2)16(9-10-18-3)11-12-7-6-8-15-12/h12-13,15H,4-11H2,1-3H3
InChIKeyNRLZTJDMISCDOE-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617509
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
ethyl N-[2-methoxyethyl(pyrrolidin-2-ylmethyl)sulfamoyl]carbamate
CID 106609811
N-butyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106612022
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
2-[butyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methoxyethyl)propanamide
CID 106616707
3-methoxy-N-methyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106607554
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate (CID 106617720) is ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate is CCOC(=O)C(CC)N(CCOC)CC1CCCN1.
What is the InChIKey of ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate?
The InChIKey is NRLZTJDMISCDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-13(14(17)19-5-2)16(9-10-18-3)11-12-7-6-8-15-12/h12-13,15H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate?
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate is sourced from PubChem (CID 106617720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).