2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid

C10H20N2O2 — CID 164657593

IUPAC2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
SMILESCC(C(N)C(=O)O)N1CCCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-7(8(11)9(13)14)12-6-4-5-10(12,2)3/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyXIOHTIHRYDHYAA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid

2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid (PubChem CID 164657593) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
PubChem CID164657593
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
SMILESCC(C(N)C(=O)O)N1CCCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-7(8(11)9(13)14)12-6-4-5-10(12,2)3/h7-8H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyXIOHTIHRYDHYAA-UHFFFAOYSA-N
XLogP0.66
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 ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylbutanehydrazide
CID 79409006
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 63217403
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
tert-butyl 2-(2,2-dimethylpyrrolidin-1-yl)propanoate
CID 64688779
ethyl 3-(2,2-dimethylpyrrolidin-1-yl)butanoate
CID 63219741
3-(2,2-dimethylpyrrolidin-1-yl)butanehydrazide
CID 63585215
(2R)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 103929899
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
1-(3-amino-2-methylpropanoyl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 114085623
1-[(2R)-2-methyl-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 170366316

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid (CID 164657593) is 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid is CC(C(N)C(=O)O)N1CCCC1(C)C.
What is the InChIKey of 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid?
The InChIKey is XIOHTIHRYDHYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(8(11)9(13)14)12-6-4-5-10(12,2)3/h7-8H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid?
2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 164657593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).