1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 102865159

IUPAC1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(19)20)8-4-10-17(15)14(21)16(9-5-11-18)12-6-3-7-12/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyMCDAMXYNYCVKMD-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.67
Rot. Bonds6

About 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid

1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (PubChem CID 102865159) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
PubChem CID102865159
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H26N2O4/c1-2-15(13(19)20)8-4-10-17(15)14(21)16(9-5-11-18)12-6-3-7-12/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyMCDAMXYNYCVKMD-UHFFFAOYSA-N
XLogP1.67
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.67
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
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071063
1-[butyl(methyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070903
2-ethyl-1-[2-hydroxyethyl(pentan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063998
1-[butyl(ethyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83070979
1-[cyclopropyl(2-methoxyethyl)carbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978309
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
1-[bis(2-methylpropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064135
2-ethyl-1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83063863
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
2-ethyl-1-[methyl(3,3,3-trifluoropropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070845
2-ethyl-1-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83063850

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid (CID 102865159) is 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)N(CCCO)C1CCC1.
What is the InChIKey of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
The InChIKey is MCDAMXYNYCVKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-15(13(19)20)8-4-10-17(15)14(21)16(9-5-11-18)12-6-3-7-12/h12,18H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid?
1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl(3-hydroxypropyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102865159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).