1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

C11H18N2O4 — CID 102780201

IUPAC1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CC(O)CN2)C1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6-2-3-13(9(6)11(16)17)10(15)8-4-7(14)5-12-8/h6-9,12,14H,2-5H2,1H3,(H,16,17)
InChIKeyJPBLWYDJQISQBF-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.97
Rot. Bonds2

About 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid

1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102780201) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102780201
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)C2CC(O)CN2)C1C(=O)O
InChIInChI=1S/C11H18N2O4/c1-6-2-3-13(9(6)11(16)17)10(15)8-4-7(14)5-12-8/h6-9,12,14H,2-5H2,1H3,(H,16,17)
InChIKeyJPBLWYDJQISQBF-UHFFFAOYSA-N
XLogP-0.97
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
(2,4-dimethylpiperidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 62332502
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 102775893
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130877437
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
(3,4-dimethylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119791817
(4-hydroxypyrrolidin-2-yl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone;dihydrochloride
CID 119888269
(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161522
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
azepan-1-yl-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 28943560

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102780201) is 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)C2CC(O)CN2)C1C(=O)O.
What is the InChIKey of 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is JPBLWYDJQISQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-6-2-3-13(9(6)11(16)17)10(15)8-4-7(14)5-12-8/h6-9,12,14H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102780201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).