5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C15H27NO4 — CID 62933896

IUPAC5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOCCN(C(=O)CC(C)(C)CC(=O)O)C(C)C1CC1
InChIInChI=1S/C15H27NO4/c1-11(12-5-6-12)16(7-8-20-4)13(17)9-15(2,3)10-14(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyZDRZSPRDLAADJC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.15
Rot. Bonds9

About 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62933896) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62933896
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCOCCN(C(=O)CC(C)(C)CC(=O)O)C(C)C1CC1
InChIInChI=1S/C15H27NO4/c1-11(12-5-6-12)16(7-8-20-4)13(17)9-15(2,3)10-14(18)19/h11-12H,5-10H2,1-4H3,(H,18,19)
InChIKeyZDRZSPRDLAADJC-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-cyclopropylethyl(2-methoxyethyl)amino]-5-oxopentanoic acid
CID 54875337
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyethyl)-2-methylpropanamide
CID 103429770
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-methylamino]propanoic acid
CID 62637212
N-(1-cyclopropylethyl)-2-(ethylamino)-N-(2-methoxyethyl)-2-methylpropanamide
CID 62834379
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
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
5-[ethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
CID 62933567
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
2-carbamothioyl-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-2-methylbutanamide
CID 114292133

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62933896) is 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is COCCN(C(=O)CC(C)(C)CC(=O)O)C(C)C1CC1.
What is the InChIKey of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is ZDRZSPRDLAADJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-11(12-5-6-12)16(7-8-20-4)13(17)9-15(2,3)10-14(18)19/h11-12H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 285.38 g/mol, XLogP of 2.15, 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]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62933896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).