3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid

C10H20N2O2 — CID 130558045

IUPAC3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC1C(N)CCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7-8(11)4-5-12(7)6-10(2,3)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyNEGULUOUSRVLCM-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.52
Rot. Bonds3

About 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid

3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid (PubChem CID 130558045) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
PubChem CID130558045
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid
SMILESCC1C(N)CCN1CC(C)(C)C(=O)O
InChIInChI=1S/C10H20N2O2/c1-7-8(11)4-5-12(7)6-10(2,3)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyNEGULUOUSRVLCM-UHFFFAOYSA-N
XLogP0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-Fluoropyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 172334293
3-[2-(3-Fluoropyrrolidin-2-yl)ethyl-methylamino]propanoic acid
CID 172335500
3-[2-(4-Fluoropyrrolidin-2-yl)ethyl-methylamino]propanoic acid
CID 172335556
3-[(4-Fluoropyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 172335636
3-[(3,3-Difluoropyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 172335788
3-[2-(3-Fluoropyrrolidin-2-yl)ethyl-propylamino]propanoic acid
CID 172335828
3-[(4,4-Difluoropyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 172335992
3,3,3-Trifluoro-2-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]propanoic acid
CID 106020293
2-[[(1-Ethylpyrrolidin-2-yl)methylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 113791998
3-[(3-Methyl-1-pyrrolidin-1-ylbutan-2-yl)amino]propanoic acid
CID 18960768
3-(4-Aminopiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 21928000
Acetic acid;1-tert-butylpyrrolidin-3-amine
CID 22393538

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid (CID 130558045) is 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid is CC1C(N)CCN1CC(C)(C)C(=O)O.
What is the InChIKey of 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid?
The InChIKey is NEGULUOUSRVLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-8(11)4-5-12(7)6-10(2,3)9(13)14/h7-8H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid?
3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpyrrolidin-1-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 130558045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).