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

C11H20N2O3 — CID 63032262

IUPAC1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-12(3)11(16)13-5-4-9(7-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyXYEKTSIVWULYEH-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.10
Rot. Bonds3

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

1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032262) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032262
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)CN(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)6-12(3)11(16)13-5-4-9(7-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyXYEKTSIVWULYEH-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030368
1-[2-ethoxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 81056899
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
(3R)-1-[cyclopropyl(2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120598
(3R)-1-[3-(dimethylamino)propyl-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120822
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79315373
1-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031058
1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032091
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080
1-[(4-fluorophenyl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63032088

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032262) is 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid is CC(C)CN(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XYEKTSIVWULYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)6-12(3)11(16)13-5-4-9(7-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.10, 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-3-carboxylic acid is sourced from PubChem (CID 63032262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).