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

C12H20N2O3 — CID 61202504

IUPAC1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8(9-5-6-9)13(2)12(17)14-7-3-4-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWWQBJKCRGREAFT-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds3

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

1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61202504) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61202504
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C12H20N2O3/c1-8(9-5-6-9)13(2)12(17)14-7-3-4-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)
InChIKeyWWQBJKCRGREAFT-UHFFFAOYSA-N
XLogP1.39
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[methyl(pentan-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922876
1-[methyl(3-methylbutan-2-yl)carbamoyl]azepane-2-carboxylic acid
CID 64561748
1-[methyl(2-methylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61196249
1-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]azepane-2-carboxylic acid
CID 64564688
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]azocane-2-carboxylic acid
CID 114239873
(2R)-1-[2-(dimethylamino)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 55226778
1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62979247
1-(2-hydroxypropanoyl)pyrrolidine-2-carboxylic acid
CID 12919062
(2R)-1-(2-cyclopropylpropanoyl)piperidine-2-carboxylic acid
CID 83146744
(2R)-1-(2-propan-2-ylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 79014107
1-[1-cyclopropylethyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 43569525
1-[methyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186495

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61202504) is 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC(C1CC1)N(C)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WWQBJKCRGREAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(9-5-6-9)13(2)12(17)14-7-3-4-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid?
1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclopropylethyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61202504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).