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

C10H18N2O4 — CID 63149285

IUPAC1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(CCO)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(8(14)15)3-4-12(7-10)9(16)11(2)5-6-13/h13H,3-7H2,1-2H3,(H,14,15)
InChIKeyIROZIZOCLZRJHI-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.17
Rot. Bonds3

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

1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63149285) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63149285
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCN(CCO)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C10H18N2O4/c1-10(8(14)15)3-4-12(7-10)9(16)11(2)5-6-13/h13H,3-7H2,1-2H3,(H,14,15)
InChIKeyIROZIZOCLZRJHI-UHFFFAOYSA-N
XLogP-0.17
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
1-[(2-fluorophenyl)methyl-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149250
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332
1-[(2-hydroxycyclohexyl)-methylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 102633364

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63149285) is 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CN(CCO)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is IROZIZOCLZRJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-10(8(14)15)3-4-12(7-10)9(16)11(2)5-6-13/h13H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).