2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid

C11H20N2O3 — CID 106318937

IUPAC2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
SMILESCNC(=O)C1(C)CCN(CC(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(9(14)15)6-13-5-4-11(2,7-13)10(16)12-3/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJDUFHLDFCZJSJP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds4

About 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid

2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 106318937) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
PubChem CID106318937
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
SMILESCNC(=O)C1(C)CCN(CC(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(9(14)15)6-13-5-4-11(2,7-13)10(16)12-3/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyJDUFHLDFCZJSJP-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318954
methyl 2-bromo-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoate
CID 106318980
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
ethyl 3-hydroxy-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]butanoate
CID 106318945
(Z)-2-methyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoic acid
CID 106318992
3-(3-cyano-3-methylpyrrolidin-1-yl)-2-methylpropanoic acid
CID 164653373
1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318064
1-(3-chloro-2-methylpropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317997
1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
(2S)-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]butanedioic acid
CID 106320831
(2S)-3-hydroxy-2-[[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 106320575
3-(4-hydroxy-4-methylazepan-1-yl)-2-methylpropanoic acid
CID 107405121

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid (CID 106318937) is 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid is CNC(=O)C1(C)CCN(CC(C)C(=O)O)C1.
What is the InChIKey of 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is JDUFHLDFCZJSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(9(14)15)6-13-5-4-11(2,7-13)10(16)12-3/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 106318937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).