3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C12H22N2O3 — CID 63714654

IUPAC3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC1CNCC1C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-7-5-13-6-8(7)10(15)14-9(11(16)17)12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyPKSQJDRSDWIWFS-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.46
Rot. Bonds3

About 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid

3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 63714654) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID63714654
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC1CNCC1C(=O)NC(C(=O)O)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-7-5-13-6-8(7)10(15)14-9(11(16)17)12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyPKSQJDRSDWIWFS-UHFFFAOYSA-N
XLogP0.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 115747511
4-methyl-2-[[(3S,4S)-4-methylpyrrolidine-3-carbonyl]amino]pentanoic acid
CID 114084816
N-[(1S)-1-cyclopentylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81390477
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 103927215
N-[(1R)-1-cyclohexylethyl]-4-methylpyrrolidine-3-carboxamide
CID 81385804
4-methyl-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-3-carboxamide
CID 82724672
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
4-methyl-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 63720958
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
N-[(2S)-1-aminopropan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 130778578
2-[(4-methylpyrrolidine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63715316

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 63714654) is 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CC1CNCC1C(=O)NC(C(=O)O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is PKSQJDRSDWIWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7-5-13-6-8(7)10(15)14-9(11(16)17)12(2,3)4/h7-9,13H,5-6H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 63714654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).