2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

C13H24N2O3 — CID 79383054

IUPAC2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(C)(C)N(C)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H24N2O3/c1-6-13(3,4)14(5)12(18)15-8-7-10(9(15)2)11(16)17/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyALJFJYADPUCEAQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds3

About 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383054) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79383054
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC(C)(C)N(C)C(=O)N1CCC(C(=O)O)C1C
InChIInChI=1S/C13H24N2O3/c1-6-13(3,4)14(5)12(18)15-8-7-10(9(15)2)11(16)17/h9-10H,6-8H2,1-5H3,(H,16,17)
InChIKeyALJFJYADPUCEAQ-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79379376
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
4-hydroxy-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63960076
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382684
1-[(4-ethylphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377613
cis-(1S,2R)-2-[methyl(2-methylbutan-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 114092372
1-[ethyl(piperidin-4-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382956
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 102865569
2-methyl-1-(3-methylpentanoyl)pyrrolidine-3-carboxylic acid
CID 114873795

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 79383054) is 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC(C)(C)N(C)C(=O)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ALJFJYADPUCEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-13(3,4)14(5)12(18)15-8-7-10(9(15)2)11(16)17/h9-10H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).