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

C15H28N2O4 — CID 83063998

IUPAC2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-12(5-2)16(10-11-18)14(21)17-9-7-8-15(17,6-3)13(19)20/h12,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyHXZHOBJJWAGSQA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.92
Rot. Bonds7

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

2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83063998) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83063998
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC(CC)N(CCO)C(=O)N1CCCC1(CC)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-4-12(5-2)16(10-11-18)14(21)17-9-7-8-15(17,6-3)13(19)20/h12,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyHXZHOBJJWAGSQA-UHFFFAOYSA-N
XLogP1.92
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[3-hydroxypropyl(methyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114230432
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 102865159
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
2-ethyl-1-[methyl(2-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83071134
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
1-[propan-2-yl(propyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978211
N-(2-hydroxyethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79152464
2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070845
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 83063998) is 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is CCC(CC)N(CCO)C(=O)N1CCCC1(CC)C(=O)O.
What is the InChIKey of 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HXZHOBJJWAGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-12(5-2)16(10-11-18)14(21)17-9-7-8-15(17,6-3)13(19)20/h12,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83063998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).