3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid

C12H22N2O3 — CID 115428947

IUPAC3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC1(C)CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2)5-6-14(8-11)10(17)13-7-12(3,4)9(15)16/h5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBODRGRTZIAMCKN-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.54
Rot. Bonds3

About 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid

3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 115428947) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
PubChem CID115428947
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
SMILESCC1(C)CCN(C(=O)NCC(C)(C)C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-11(2)5-6-14(8-11)10(17)13-7-12(3,4)9(15)16/h5-8H2,1-4H3,(H,13,17)(H,15,16)
InChIKeyBODRGRTZIAMCKN-UHFFFAOYSA-N
XLogP1.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-N-propylpyrrolidine-1-carboxamide
CID 115661017
1-(3,3-dimethylpyrrolidin-1-yl)-2,2-dimethyl-3-(methylamino)propan-1-one
CID 118447947
1-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106279301
4-(3,3-dimethylpiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65300164
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 114679546
4-[[3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 120874267
3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427935
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 115428801
2,2-dimethyl-3-[(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 102891247
3-[(3-acetamidopyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 113402528
N-ethoxy-3,3-dimethylpyrrolidine-1-carboxamide
CID 130616127

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid (CID 115428947) is 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is CC1(C)CCN(C(=O)NCC(C)(C)C(=O)O)C1.
What is the InChIKey of 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is BODRGRTZIAMCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2)5-6-14(8-11)10(17)13-7-12(3,4)9(15)16/h5-8H2,1-4H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid?
3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 242.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115428947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).