1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C13H22N2O4 — CID 102865569

IUPAC1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H22N2O4/c1-9-11(12(17)18)5-6-14(9)13(19)15(7-8-16)10-3-2-4-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyXMTGIMQTVQOZNL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.75
Rot. Bonds4

About 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 102865569) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID102865569
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H22N2O4/c1-9-11(12(17)18)5-6-14(9)13(19)15(7-8-16)10-3-2-4-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyXMTGIMQTVQOZNL-UHFFFAOYSA-N
XLogP0.75
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102865465
1-[ethyl(piperidin-4-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382956
(2S)-1-[cyclopropyl(2-hydroxyethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 54995466
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 102860862
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79379376
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
1-[butyl(ethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382684
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-carboxamide
CID 79159584
2-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978364

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 102865569) is 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XMTGIMQTVQOZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9-11(12(17)18)5-6-14(9)13(19)15(7-8-16)10-3-2-4-10/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 102865569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).