ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate

C12H23NO3 — CID 103484141

IUPACethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(CC)C(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(10(3)4)9-11(14)7-8-12(15)16-6-2/h10H,5-9H2,1-4H3
InChIKeyHBIGVYYSMSLVQZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.63
Rot. Bonds8

About ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate

ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate (PubChem CID 103484141) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate.

Molecular Properties

Compound Nameethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
PubChem CID103484141
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate
SMILESCCOC(=O)CCC(=O)CN(CC)C(C)C
InChIInChI=1S/C12H23NO3/c1-5-13(10(3)4)9-11(14)7-8-12(15)16-6-2/h10H,5-9H2,1-4H3
InChIKeyHBIGVYYSMSLVQZ-UHFFFAOYSA-N
XLogP1.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[ethyl(methyl)amino]-4-oxopentanoate
CID 103484137
ethyl 4-[butan-2-yl(ethyl)amino]-3-oxobutanoate
CID 63897925
ethyl 5-[butyl(ethyl)amino]-4-oxopentanoate
CID 103484099
2-[ethyl(propan-2-yl)amino]acetamide
CID 22371770
ethyl 5-butan-2-yloxy-4-oxopentanoate
CID 103484916
ethyl 5-(2-methylpropoxy)-4-oxopentanoate
CID 103484854
ethyl 5-amino-4-oxohexanoate
CID 76602913
2-[ethyl(propan-2-yl)amino]-N-methyl-N-propan-2-ylacetamide
CID 176579290
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxopentanoate
CID 103484403
ethyl 5-[(2-methylpropan-2-yl)oxy]-4-oxopentanoate
CID 103484901
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate?
The IUPAC name of ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate (CID 103484141) is ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate.
What is the SMILES notation for ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate?
The canonical SMILES for ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate is CCOC(=O)CCC(=O)CN(CC)C(C)C.
What is the InChIKey of ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate?
The InChIKey is HBIGVYYSMSLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-13(10(3)4)9-11(14)7-8-12(15)16-6-2/h10H,5-9H2,1-4H3.
What are the key properties of ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate?
ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.63, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[ethyl(propan-2-yl)amino]-4-oxopentanoate is sourced from PubChem (CID 103484141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).