1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

C11H20N2O3 — CID 61196249

IUPAC1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)7-12(3)11(16)13-6-4-5-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyMPDIRXFYBFLQMM-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.24
Rot. Bonds3

About 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid

1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61196249) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61196249
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)CN(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(2)7-12(3)11(16)13-6-4-5-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyMPDIRXFYBFLQMM-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-cyanopropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922561
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
(2R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78948208
1-[methyl(pentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61197967
(2R)-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55149110
(2S)-1-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 78967840
(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
(2S)-1-(3-methylbutylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510076
1-[cyclopentylmethyl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564499
(2S)-1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 54969312
(2R)-1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 78922463
(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 10535993

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61196249) is 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(C)CN(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MPDIRXFYBFLQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)7-12(3)11(16)13-6-4-5-9(13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61196249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).