methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate

C13H26N2O4 — CID 106617435

IUPACmethyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
SMILESCOCCN(CC1CCCN1)CC(C)(O)C(=O)OC
InChIInChI=1S/C13H26N2O4/c1-13(17,12(16)19-3)10-15(7-8-18-2)9-11-5-4-6-14-11/h11,14,17H,4-10H2,1-3H3
InChIKeyUERVSGYRERDLKL-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.39
Rot. Bonds8

About methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate

methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate (PubChem CID 106617435) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
PubChem CID106617435
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Namemethyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
SMILESCOCCN(CC1CCCN1)CC(C)(O)C(=O)OC
InChIInChI=1S/C13H26N2O4/c1-13(17,12(16)19-3)10-15(7-8-18-2)9-11-5-4-6-14-11/h11,14,17H,4-10H2,1-3H3
InChIKeyUERVSGYRERDLKL-UHFFFAOYSA-N
XLogP-0.39
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
CID 106617477
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 106616926
3-methoxy-N-(2-methoxyethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]propan-1-amine
CID 102819399
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-carbamoyl-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617540
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methoxypropyl)acetamide
CID 106617530
N,N-diethyl-N'-(2-methoxyethyl)-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617646
N'-(2-methoxyethyl)-N,N-dimethyl-N'-(pyrrolidin-2-ylmethyl)ethane-1,2-diamine
CID 106617601
1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]pyrrolidin-2-one
CID 106617590
1-[2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]acetyl]imidazolidin-2-one
CID 106617628
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate (CID 106617435) is methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate is COCCN(CC1CCCN1)CC(C)(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate?
The InChIKey is UERVSGYRERDLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-13(17,12(16)19-3)10-15(7-8-18-2)9-11-5-4-6-14-11/h11,14,17H,4-10H2,1-3H3.
What are the key properties of methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate has a molecular weight of 274.36 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106617435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).