1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

C12H22N2O4 — CID 79379376

IUPAC1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2O4/c1-8-9(10(15)16)5-6-14(8)11(17)13(4)7-12(2,3)18/h8-9,18H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHDHLHIZQOIBML-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.60
Rot. Bonds3

About 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid

1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79379376) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79379376
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C12H22N2O4/c1-8-9(10(15)16)5-6-14(8)11(17)13(4)7-12(2,3)18/h8-9,18H,5-7H2,1-4H3,(H,15,16)
InChIKeyYHDHLHIZQOIBML-UHFFFAOYSA-N
XLogP0.60
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[methyl(2-methylbutan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79383054
1-[cyclopentylmethyl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382649
1-[1-hydroxypropan-2-yl(methyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 104553133
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377102
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 102865569
2-methyl-1-[methyl-(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382850
3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 79378331
1-[(4-ethylphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79377613
1-[ethyl(piperidin-4-yl)carbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382956
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 79385471
1-[2-(aminomethyl)cyclohexanecarbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372312

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid (CID 79379376) is 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)N(C)CC(C)(C)O.
What is the InChIKey of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YHDHLHIZQOIBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8-9(10(15)16)5-6-14(8)11(17)13(4)7-12(2,3)18/h8-9,18H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid?
1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79379376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).