3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid

C16H24N2O2 — CID 63275293

IUPAC3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
SMILESCN1CCC(CN(C)CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-9-8-13(10-17)11-18(2)12-15(16(19)20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20)
InChIKeyRFRGWMHIEWZEFY-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.74
Rot. Bonds6

About 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid

3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid (PubChem CID 63275293) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
PubChem CID63275293
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
SMILESCN1CCC(CN(C)CC(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-17-9-8-13(10-17)11-18(2)12-15(16(19)20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20)
InChIKeyRFRGWMHIEWZEFY-UHFFFAOYSA-N
XLogP1.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-phenylpropanethioamide
CID 64536727
3-[methyl(oxan-3-ylmethyl)amino]-2-phenylpropanoic acid
CID 63707876
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
methyl 3-[cyclobutylmethyl(methyl)amino]-2-phenylpropanoate
CID 64567717
2-[methyl-[[(3S)-1-methylpyrrolidin-3-yl]methyl]amino]acetic acid
CID 96639224
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
1-(2-chlorophenyl)-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethanone
CID 55170858
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-(2-methylphenyl)propan-1-one
CID 63274696
2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-1-phenylbutan-1-ol
CID 63273656
3-[cyclopentyl(methyl)amino]-2-phenylpropanoic acid
CID 55146888
3-[(4-aminocyclohexyl)-methylamino]-2-phenylpropanoic acid
CID 79120845

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid (CID 63275293) is 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid is CN1CCC(CN(C)CC(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid?
The InChIKey is RFRGWMHIEWZEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-9-8-13(10-17)11-18(2)12-15(16(19)20)14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid?
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid has a molecular weight of 276.38 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63275293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).