1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H22N2O4 — CID 113364557

IUPAC1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2)4-3-8(6-13)14-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyXJSKNUCMZBSXSN-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.79
Rot. Bonds2

About 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 113364557) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID113364557
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCC1(C)CCC(NC(=O)N2CC(O)CC2C(=O)O)C1
InChIInChI=1S/C13H22N2O4/c1-13(2)4-3-8(6-13)14-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,3-7H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyXJSKNUCMZBSXSN-UHFFFAOYSA-N
XLogP0.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114549127
(2S)-1-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61187010
(2S,4R)-1-(cyclooctylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841825
(2S,4S)-1-[(2,2-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79878536
(2S,4R)-4-hydroxy-1-[(3-methylsulfanylcyclopentyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114124049
(2R,4R)-4-hydroxy-1-[(1-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104865776
(2S,4S)-4-hydroxy-1-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 64712230
4-hydroxy-1-[(1-methylpiperidin-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61222918
(2S,4R)-4-hydroxy-1-[(2-methylcyclopropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 63844255
1-[(3-ethylcyclohexyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64743536
(2R,4R)-1-[(1-cyclopropylpyrrolidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000138
1-[(1-ethylpiperidin-3-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61478315

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 113364557) is 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is CC1(C)CCC(NC(=O)N2CC(O)CC2C(=O)O)C1.
What is the InChIKey of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is XJSKNUCMZBSXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2)4-3-8(6-13)14-12(19)15-7-9(16)5-10(15)11(17)18/h8-10,16H,3-7H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-dimethylcyclopentyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 113364557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).