5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid

C13H23NO4 — CID 54875337

IUPAC5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)CCCC(=O)O)C(C)C1CC1
InChIInChI=1S/C13H23NO4/c1-10(11-6-7-11)14(8-9-18-2)12(15)4-3-5-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyADHRYDGULKSYJT-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.51
Rot. Bonds9

About 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid (PubChem CID 54875337) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
PubChem CID54875337
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
SMILESCOCCN(C(=O)CCCC(=O)O)C(C)C1CC1
InChIInChI=1S/C13H23NO4/c1-10(11-6-7-11)14(8-9-18-2)12(15)4-3-5-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyADHRYDGULKSYJT-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933896
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
cis-(1S,2R)-2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114091974
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065274
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
5-[2-methoxyethyl(thiolan-3-yl)amino]-5-oxopentanoic acid
CID 54875063
3-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63784695
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 116655031

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid (CID 54875337) is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid is COCCN(C(=O)CCCC(=O)O)C(C)C1CC1.
What is the InChIKey of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid?
The InChIKey is ADHRYDGULKSYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-10(11-6-7-11)14(8-9-18-2)12(15)4-3-5-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid?
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 1.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54875337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).