3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 64684705

IUPAC3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC1CNCC1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-12-6-8(7)10(16)13-11(2,3)4-9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySYTKZDNPURUIJJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.21
Rot. Bonds4

About 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid

3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 64684705) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID64684705
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC1CNCC1C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-7-5-12-6-8(7)10(16)13-11(2,3)4-9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)
InChIKeySYTKZDNPURUIJJ-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 46201147
(3R,4S)-4-(butylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 46201148
3-Methyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 64702500
3-Methyl-2-[[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]methyl]butanoic acid
CID 65224334
2,2,3-Trimethyl-3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 65265245
4-(Acetamidomethyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 165755795
1-(2-Acetamidoethyl)pyrrolidine-3-carboxylic acid
CID 22322840
1-[3-Oxo-3-(propylamino)propyl]pyrrolidine-3-carboxylic acid
CID 22322942
(2S)-3-methyl-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 63006443
3-(Tert-butylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67294051
(2S)-2-amino-3-methylbutanoic acid;pyrrolidin-2-one
CID 68457263
3-[(5-Oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 70820748

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 64684705) is 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CC1CNCC1C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is SYTKZDNPURUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-12-6-8(7)10(16)13-11(2,3)4-9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15).
What are the key properties of 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64684705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).