ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate

C11H22N2O3 — CID 106617961

IUPACethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C11H22N2O3/c1-2-16-11(15)9-13(6-7-14)8-10-4-3-5-12-10/h10,12,14H,2-9H2,1H3
InChIKeyBYDDAVJTJSTGAQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.40
Rot. Bonds7

About ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate

ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate (PubChem CID 106617961) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
PubChem CID106617961
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate
SMILESCCOC(=O)CN(CCO)CC1CCCN1
InChIInChI=1S/C11H22N2O3/c1-2-16-11(15)9-13(6-7-14)8-10-4-3-5-12-10/h10,12,14H,2-9H2,1H3
InChIKeyBYDDAVJTJSTGAQ-UHFFFAOYSA-N
XLogP-0.40
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617908
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dipropylacetamide
CID 106617900
2-[2-methylidenebutyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618252
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
2-[2-ethylsulfonylethyl(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618300
1-ethoxy-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106617981
tert-butyl 2-[butyl(pyrrolidin-2-ylmethyl)amino]acetate
CID 106616742
2-[2-(dimethylamino)ethyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618094
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 106617890
2-[3-(2-methoxyethoxy)propyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106618388
2-[(2-amino-2-oxoethyl)-[[(2R)-pyrrolidin-2-yl]methyl]amino]acetamide
CID 102819499

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate (CID 106617961) is ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate is CCOC(=O)CN(CCO)CC1CCCN1.
What is the InChIKey of ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate?
The InChIKey is BYDDAVJTJSTGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-2-16-11(15)9-13(6-7-14)8-10-4-3-5-12-10/h10,12,14H,2-9H2,1H3.
What are the key properties of ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate?
ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate has a molecular weight of 230.31 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetate is sourced from PubChem (CID 106617961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).