2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid

C9H17NO2 — CID 61225596

IUPAC2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCN(CC(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-3-4-10(5-7)6-8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyWWADFMQUDKRNKW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.05
Rot. Bonds3

About 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid

2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 61225596) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
PubChem CID61225596
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCN(CC(C)C(=O)O)C1
InChIInChI=1S/C9H17NO2/c1-7-3-4-10(5-7)6-8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyWWADFMQUDKRNKW-UHFFFAOYSA-N
XLogP1.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
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methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
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3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
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acetic acid;3-methyl-1-propylpyrrolidine
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(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
2-methyl-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propanoic acid
CID 81198905
ethane;2-(3-methylpyrrolidin-1-yl)acetic acid
CID 143851762
2-acetamido-3-(4-methylpiperidin-1-yl)propanoic acid
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2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
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CID 23396961

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid (CID 61225596) is 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid is CC1CCN(CC(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is WWADFMQUDKRNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-3-4-10(5-7)6-8(2)9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid?
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 61225596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).