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

C11H20N2O4 — CID 63149326

IUPAC3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(C)CCO)C1
InChIInChI=1S/C11H20N2O4/c1-3-11(9(15)16)4-5-13(8-11)10(17)12(2)6-7-14/h14H,3-8H2,1-2H3,(H,15,16)
InChIKeyZWOBIMMVTILNPC-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.22
Rot. Bonds4

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

3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63149326) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63149326
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)N(C)CCO)C1
InChIInChI=1S/C11H20N2O4/c1-3-11(9(15)16)4-5-13(8-11)10(17)12(2)6-7-14/h14H,3-8H2,1-2H3,(H,15,16)
InChIKeyZWOBIMMVTILNPC-UHFFFAOYSA-N
XLogP0.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxyethyl(methyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149367
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148145
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
1-[cyclopropyl(2-hydroxyethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63147465
4-ethyl-1-[2-hydroxypropyl(methyl)carbamoyl]piperidine-4-carboxylic acid
CID 63127367
3-ethyl-1-propanoylpyrrolidine-3-carboxylic acid
CID 63146724
3-ethyl-1-[ethyl(2-methoxyethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 55165576
1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135670
1-[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147067
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63149603
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63149326) is 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)N(C)CCO)C1.
What is the InChIKey of 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ZWOBIMMVTILNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-11(9(15)16)4-5-13(8-11)10(17)12(2)6-7-14/h14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63149326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).