2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid

C12H24N2O4 — CID 106617477

IUPAC2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC1CCCN1)CC(C)(O)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-12(17,11(15)16)9-14(6-7-18-2)8-10-4-3-5-13-10/h10,13,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyIBSDJXCKJZAUTQ-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.48
Rot. Bonds8

About 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid (PubChem CID 106617477) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
PubChem CID106617477
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CC1CCCN1)CC(C)(O)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-12(17,11(15)16)9-14(6-7-18-2)8-10-4-3-5-13-10/h10,13,17H,3-9H2,1-2H3,(H,15,16)
InChIKeyIBSDJXCKJZAUTQ-UHFFFAOYSA-N
XLogP-0.48
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoate
CID 106617435
N-(2-methoxyethyl)-2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106606206
2-hydroxy-2-methyl-3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106617049
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
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
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
5-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpentanenitrile
CID 106617573
methyl 3-[butyl(pyrrolidin-2-ylmethyl)amino]-2,2-dimethylpropanoate
CID 106616926

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid (CID 106617477) is 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid is COCCN(CC1CCCN1)CC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid?
The InChIKey is IBSDJXCKJZAUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-12(17,11(15)16)9-14(6-7-18-2)8-10-4-3-5-13-10/h10,13,17H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid has a molecular weight of 260.33 g/mol, XLogP of -0.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 106617477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).