ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate

C11H19NO3 — CID 121005908

IUPACethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
SMILESCCOC(=O)C(CC(C)C)N1CCC1=O
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)9(7-8(2)3)12-6-5-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyXXWXPXRWVLWJJV-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds5

About ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate

ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate (PubChem CID 121005908) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
PubChem CID121005908
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate
SMILESCCOC(=O)C(CC(C)C)N1CCC1=O
InChIInChI=1S/C11H19NO3/c1-4-15-11(14)9(7-8(2)3)12-6-5-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyXXWXPXRWVLWJJV-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-[acetyl(fluoro)amino]-4-methylpentanoate
CID 15813344
Ethyl 3-methyl-2-(2-oxoazetidin-1-yl)butanoate
CID 12727490
Ethyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 15446107
N-Methylleucine, N-trifluoroacetyl-, n-butyl ester
CID 85914356
propan-2-yl (2S)-2-[acetyl(methyl)amino]-4-fluoro-4-methylpentanoate
CID 164133149
Sarcosine, n-hexanoyl-, isohexyl ester
CID 91692127
Sarcosine, N-valeryl-, isohexyl ester
CID 91692129
Sarcosine, N-cyclopropylcarbonyl-, isohexyl ester
CID 91704965
l-Leucine, N-ethoxycarbonyl-N-methyl-, isobutyl ester
CID 91726099
l-Leucine, N-ethoxycarbonyl-N-methyl-, pentyl ester
CID 91726104
l-Leucine, N-methyl-n-propoxycarbonyl-, propyl ester
CID 91729871
l-Leucine, N-methyl-n-propoxycarbonyl-, isobutyl ester
CID 91729962

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate?
The IUPAC name of ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate (CID 121005908) is ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate?
The canonical SMILES for ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate is CCOC(=O)C(CC(C)C)N1CCC1=O.
What is the InChIKey of ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate?
The InChIKey is XXWXPXRWVLWJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-15-11(14)9(7-8(2)3)12-6-5-10(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate?
ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-oxoazetidin-1-yl)pentanoate is sourced from PubChem (CID 121005908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).