2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

C11H22N2O3 — CID 106617509

IUPAC2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCOCCN(CC1CCCN1)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-9(11(14)15)13(6-7-16-2)8-10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFRCNUNIJSJWJCZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.16
Rot. Bonds7

About 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106617509) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
PubChem CID106617509
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCOCCN(CC1CCCN1)C(C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-9(11(14)15)13(6-7-16-2)8-10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,14,15)
InChIKeyFRCNUNIJSJWJCZ-UHFFFAOYSA-N
XLogP0.16
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616231
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 106617557
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
ethyl 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]butanoate
CID 106617720
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106611566
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)but-3-en-2-amine
CID 106617658
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
2-ethyl-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611787
6,6,6-trifluoro-N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)hexan-2-amine
CID 106605959
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 106611388

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (CID 106617509) is 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is COCCN(CC1CCCN1)C(C)C(=O)O.
What is the InChIKey of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is FRCNUNIJSJWJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(11(14)15)13(6-7-16-2)8-10-4-3-5-12-10/h9-10,12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106617509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).