5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid

C13H23NO3 — CID 107397516

IUPAC5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CCC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23NO3/c1-3-14(9-11-5-4-6-11)12(15)7-10(2)8-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyYZPXUPJVQPHFJX-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.14
Rot. Bonds7

About 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid

5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid (PubChem CID 107397516) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
PubChem CID107397516
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
SMILESCCN(CC1CCC1)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C13H23NO3/c1-3-14(9-11-5-4-6-11)12(15)7-10(2)8-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyYZPXUPJVQPHFJX-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclopropylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid
CID 63955131
5-[ethyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62964406
5-[cyclohexylmethyl(methyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965595
3-amino-N-(cyclobutylmethyl)-3-cyclopropyl-N-ethylpropanamide
CID 107398403
3-amino-N-(cyclopropylmethyl)-N-ethylbutanamide
CID 63954762
5-[ethyl(2-hydroxyethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965425
3-amino-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107397900
3-[cyclopentylmethyl(ethyl)amino]butanoic acid
CID 62825666
3-[[[cyclobutylmethyl(ethyl)carbamoyl]amino]methyl]-5-methylhexanoic acid
CID 107400095
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
N-(cyclobutylmethyl)-N-ethylpyrrolidine-1-carboxamide
CID 107397947
4-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylbutanoic acid
CID 81069071

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid (CID 107397516) is 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid is CCN(CC1CCC1)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is YZPXUPJVQPHFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-3-14(9-11-5-4-6-11)12(15)7-10(2)8-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid?
5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutylmethyl(ethyl)amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 107397516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).